JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL

Rivista

Codice:

E185404

ISSN:

1520-6106

Dati Generali

Pubblicazioni (541)

3-methylthiophene self-assembled monolayers on planar and nanoparticle Au surfaces

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A 1H and 13C Solid State NMR Investigation of the Structure and Molecular Dynamics of Hydrogenated Oligocyclopentadiene

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A Bias-Exchange Approach to Protein Folding

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A Combined Theoretical and Experimental Study of Solid Octyl and Decylammonium Chlorides and of Their Aqueous Solutions

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A Criterion for Anomalous Melting in Systems with Isotropic Interactions

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A Fourier transform infrared (FTIR) study of the reaction of triethoxysilane (TES) and bis[3-triethoxysilylpropyl]tetrasulfane (TESPT) with the surface of amorphous silica

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A Mean Field Analysis of the O-H Stretching Raman Spectra in Methanol/Carbon Tetrachloride Mixtures

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A Proton NMR Relaxation study of C12E6/D2O

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A Quasielastic Neutron Scattering Investigation on the Molecular Self-Dynamics of Human Myelin Protein P2

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A Simulation Study on OH-Containing Polyimide (HPI) and Thermally Rearranged Polybenzoxazoles (TR-PBO): Relationship between Gas Transport Properties and Free Volume Morphology

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A Statistical Model for Translocation of Structured Polypeptide Chains through Nanopores

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A TDDFT study of the excited states of DNA bases and their assemblies

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A comparative Theoretical Investigation of Three Sodalite Systems: Cd4S(alo2)6, Zn4O(BO2)6, and Zn4S(BO2)6

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A comparative study of CO chemisorption on Al2O3 and Ti2O3 nonpolar surfaces

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A mean field analysis of the O-H stretching Raman spectra in methanol/carbon tetrachloride mixtures

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A molecular view on the role of cholesterol upon membrane insertion, aggregation, and water accessibility of the antibiotic lipopeptide trichogin GA IV as revealed by EPR

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Ab Initio Prediction of the Emission Color in Phosphorescent Iridium(III) Complexes for OLEDs

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Ab initio Study of the Structural, Tautomeric, Pairing and Electronic Properties of Seleno-Derivatives of Thymine

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Ab initio molecular dynamics of heme in cytochrome c

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Ab-initio study of chemisorption reactions for carboxylic acids on hydrogenated silicon surfaces

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Accurate Steady-State and Zero-Time Fluorescence Spectra of Large Molecules in Solution by a First-Principle Computational Method

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Adsorption of Amino Acids and Peptides on Metal and Oxide Surfaces in Water Environment: A Synthetic and Prospective Review

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Adsorption properties of C10E8 at the water-hexane interface

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Aggregation Behavior of Octyl Viologen Di[bis(trifluoromethanesulfonyl)amide] in Nonpolar Solvents

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Aggregation Behavior of Tetrakis(4-sulfonatophenyl)porphyrin in AOT/Water/Decane Microemulsions

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Aggregation in Colloidal Suspensions: Evaluation of the Role of Hydrodynamic Interactions by Means of Numerical Simulations

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Aggregation phenomena in aqueous solutions of uncharged star polymer with a porphyrin core

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Aggregation properties of hyperporphyrins with hydroxyphenyl substituents

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Aggregation properties of the peptide fragments derived from the 17-29 region of the human and rat IAPP: a comparative study with two PEG-conjugated variants of the human sequence

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Aggregation properties of the peptide fragments derived from the 17-29 region of the human and rat IAPP: a comparative study with two new PEG-conjugated variants of the human sequence.

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Alkylimidazolium Based Ionic Liquids: Impact of Cation Symmetry on their Nanoscale Structural Organization

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All-atom folding simulations of the Villin headpiece from stochastically-selected coarse-grained structures

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Alpha, alpha-trehalose-water solutions VI. A view of the structural and dynamical properties of O beta G micelles in the presence of trehalose

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Alteration of the H-bond to the A(1A) phylloquinone in Photosystem I: influence on the kinetics and energetics of electron transfer

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Amino Acid Anions in Organic Ionic Compounds. An ab Initio Study of Selected Ion Pairs

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Amphillic cyclodextrin carriers embedding porphyrins: charge and size modulation of colloidal stability in heterotopic aggregates

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Amphiphilic Cyclodextrin Carriers Embedding Porphyrins: Charge and Size Modulation of Colloidal Stability in Heterotopic Aggregates

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Amyloid beta Dodecamer Disrupts the Neuronal Membrane More Strongly than the Mature Fibril: Understanding the Role of Oligomers in Neurotoxicity

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Amyloid beta-Peptide Interaction with Membranes: Can Chaperones Change the Fate?

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Anions as Dynamic Probes for Ionic Liquid Mixtures

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Anodic Si Dissolution in Acidic Fluoride Electrolyte. A Probe Beam Deflection Investigation

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Anomalous Hardening Behavior of a Calcium Phosphate Bone Cement

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Anomalous diffusion and cage effects in the isotropic phase of a liquid crystal

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Anthramycin-DNA binding explored by molecular simulations

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Antibiotic Permeation across the OmpF Channel: Modulation of the Affinity Site in the Presence of Magnesium

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Aqueous Solvation of Methane from First Principles

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Are there immobilized water molecules around hydrophobic groups ? Aqueous solvation of methanol from first principles

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Assembly kinetics in binary mixtures of strongly attractive colloids

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Assessing the accuracy of metadynamics

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Atomistic Simulations of P(NDI2OD-T2) Morphologies: From Single Chain to Condensed Phases

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Atomistic computer simulation and experimental study on the dynamics of the n-cyanobiphenyls mesogenic series

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Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations

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Attraction between Like-Charged Polyelectrolytes in the Extended Condensation Theory.

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Au nanoparticles prepared by physical method on Si and sapphire substrates for biosensor applications

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Azole-bridged diplatinum anticancer compounds. Modulating DNA flexibility to escape repair mechanism and avoid cross resistance

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Beta-Amyloid Amorphous Aggregates Induced by the Small Natural Molecule Ferulic Acid

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Better chemistry through ceramics: the physical bases of the outstanding chemistry of ormosil

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Binding of Ubiquinone to Photosynthetic Reaction Center: Determination of Enthalpy and Entropy Changes in Reverse Micelles.

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Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: Insights from hybrid QM/MM molecular dynamics simulations

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Binding of ubiquinone to photosynthetic reaction centers. 2: Determination of enthalpy and entropy changes for the binding to the QA site in reverse micelles.

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Bonding of Histidine to Cerium Oxide

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Boron-Doped, Nitrogen-Doped, and Codoped Graphene on Cu(111): A DFT + vdW Study

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Brillouin Scattering Evidence of Nonideal Mixing in Methanol/CCl4 Mixtures

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Broadband Terahertz Spectroscopy of Imidazolium-Based Ionic Liquids

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C+C2H2: A key reaction in interstellar chemistry.

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Calcium Copper-Titanate Thin Film Growth: Tailoring of the Operational Conditions through Nanocharacterization and Substrate Nature Effects

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Calorimetric relaxation in pharmaceutical molecular glasses and its utility in understanding their stability against crystallization

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Carbon Monoxide Recombination Dynamics in Truncated Hemoglobins Studied with Visible-Pump MidIR-Probe Spectroscopy

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Cathodoluminescence investigation of residual stress in Er3+: YAlO3 thin films grown on (110) SrTiO3 substrate by metal-organic chemical vapor deposition

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Changing the Dissociative Character of the Lowest Excited State of Ethanol by Pressure

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Characteristics and Performance of a Universal Membrane Suitable for Gas Separation, Pervaporation, and Nanofiltration Applications

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Characterization of carbon nanotubes by TEM and infrared spectroscopy

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Characterization of supramolecular Polyphenol-Chromium(III) Clusters by Molecular Dynamics Simulations

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Characterization of the dizinc analogue of the synthetic diiron protein DF1 using ab initio and hybrid quantum/classical molecular dynamics simulations

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Characterization of the local structures of Ti-MCM-41 and their photocatalytic reactivity for the decomposition of NO into N(2) and O(2)

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Characterization of the zirconia-supported tungsten oxide system by laser Raman and diffuse reflectance spectroscopies

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Charge Separation and Intersystem Crossing in Homo- and Hetero-Compact Naphthalimide Dimers

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Charge renormalization in planar and spherical charged lipidic aqueous interfaces

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Chemical Short-Range Order in Selenide and Telluride Glasses

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Chlorophyll a behavior in aqueous solvents: formation of nanoscale self-assembled complexes

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Circular Dichroism and Optical Rotation of Lactamide and 2-Aminopropanol in Aqueous Solution

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Cis-trans photoisomerization of fluorescent-protein chromophores

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Cluster phases of decorated micellar solutions with macrocyclic ligands

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Cluster-Driven Dynamical Arrest in Concentrated Lysozyme Solutions

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Clusters in Colloidal Systems

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Cold-Adaptation Signatures in the Ligand Rebinding Kinetics to the Truncated Hemoglobin of the Antarctic Bacterium Pseudoalteromonas haloplanktis TAC125

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Colloidal TiO2 Nanocrystals/MEH-PPV Nanocomposites: Photo(electro)chemical Study

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Colloidal TiO2 nanocrystals/MEH-PPV nanocomposites: Photo(electro)chemical study

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Combination of transient 2D-IR experiments and AB initio computations sheds light on the formation of the charge-transfer state in photoexcited carbonyl carotenoids

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Combined EPR and Molecular Modeling Study of PPI Dendrimers Interacting with Copper Ions: Effect of Generation and Maltose Decoration.

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Combined Emulsion and Phase Inversion Techniques for the Preparation of Catalytic PVDF Microcapsules

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Combined computational and experimental investigation on the nature of hydrated iodoplumbate complexes: Insights into the dual role of water in perovskite precursor solutions

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Combining Theory and Experiment to Study the Photooxidation of Polyethylene and Polypropylene

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Combining theory and experiment to study the photooxidation of polyethylene and polypropylene

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Comment on "effect of chromium substitution on the lattice vibration of spinel lithium manganate: A new interpretation of the Raman spectrum of LiMn2O4"

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Competitive Hydrogen-Bonding Interactions in Modified Polymer Membranes: A Density Functional Theory Investigation

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Complex Permittivity of Ionic Liquid Mixtures Investigated by Terahertz Time-Domain Spectroscopy

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Computational Insight into the Interaction of Cytochrome C with Wet and PVP-Coated Ag Surfaces

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Computational Study of the One- and Two-Photon Absorption and Circular Dichroism of (L)-Tryptophan

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Computational challenges in simulating and analyzing experimental linear and nonlinear circular dichroism spectra. R-(+)-1,1 -bi(2-naphtol) as a prototype case

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Computational study on compound I redoz-active species in horseradish peroxydase enzyme: conformational fluctuations and solvation effects

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Computing the NMR spectrum of a bulk ionic liquid phase by QM/MM methods

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Conformation and orientation of tetraalanine in a lyotropic liquid crystal studied by nuclear magnetic resonance

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Conformational Analysis of Gly Ala NHMe in D20 and DMSO Solutions: A Two-Dimensional Infrared Spectroscopy Study

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Conformational Self-Recognition as the Origin of Dewetting in Bistable Molecular Surfaces

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Conformations of Phenylalanine in the Tripeptides AFA and GFG Probed by Combining MD Simulations with NMR, FTIR, Polarized Raman, and VCD Spectroscopy

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Connecting Irreversible to Reversible Aggregation: Time and Temperature

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Control of Structural, Electronic, and Optical Properties of Eumelanin Films by Electrospray Deposition

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Control of the Structural Stability of alpha-Crystallin under Thermal and Chemical Stress: The Role of Carnosine

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Coordination and haptotropic rearrangement of Cr(CO)3 on (n,0) nanotube sidewalls: a dynamical density functional study

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Coordination and haptotropic rearrangement of Cr(CO)3 on (n,0) nanotube sidewalls: a dynamical density functional study

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Copper Binding Induces Polymorphism in Amyloid-? Peptide: Results of Computational Models

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Copper-1,10-Phenanthroline Complexes Binding to DNA: Structural Predictions from Molecular Simulations

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Copper-Phthalocyanine Induced Reconstruction of Au(110)

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Correlation between Dielectric/Organic Interface Properties and Key Electrical Parameters in PPV-based OFETs

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Correlation between Dielectric/Organic Interface Properties and Key Electrical Parameters in PPV-based OFETs

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Correlation between dielectric/organic interface properties and key electrical parameters in PPV-based OFETs

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Counteranion dependent protonation and aggregation of tetrakis(4-sulfonatophenyl)porphyrin in organic solvents

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Coupling between hydrogen atoms transfer and stacking interaction in adenine-thymine/guanine-cytosine complexes: A theoretical study

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Coupling of Caged Molecule Dynamics to JG beta-Relaxation III: Van der Waals Glasses

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Critical Issues of Current Research on the Dynamics Leading to Glass Transition

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Crystal Polymorphism of Hexylammonium Chloride and Structural Properties of Its Mixtures with Water

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Crystallization Kinetics of Ultraviscous Acetaminophen by Heat Capacity and Enthalpy Measurements and Diffusion Control

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D-Alaninol Adsorption on Cu(100): Photoelectron Spectroscopy and First-Principles Calculations.

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D-alaninol adsorption on Cu(100): Photoelectron spectroscopy and first-principles calculations

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DOSY-NMR and Raman Investigations on the Self-Aggregation and Cyclodextrin Complexation of Vanillin

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Daptomycin Strongly Affects the Phase Behavior of Model Lipid Bilayers

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Deconstructing Electrostatics of Functionalized Metal Nanoparticles from Molecular Dynamics Simulations

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Delocalized Hole Domains in Guanine-Rich DNA Oligonucleotides

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Density functional theory study of formic acid adsorption on anatase TiO2(001): Geometries, energetics, and effects of coverage, hydration, and reconstruction

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Dependence of copper species on the nature of the support for dispersed CuO catalysts

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Determination of Parameters Affecting Transport in Polymeric Membranes: Parallels between Pervaporation and Nanofiltration

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Determination of minority carrier diffusion length in silicon wafers by a dual electrolyte cell

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Deuterium and carbon-13 NMR study of a banana mesogen: Molecular structure and order

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Dichroic properties of bis(benzoxazolyl)stilbene and bis(benzoxazolyl)thiophene dispersed into oriented polyethylene films: A combined experimental and density functional theory approach

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Different spectral signatures of octapeptide 3(10) and alpha-helices revealed by two-dimensional infrared spectroscopy

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Diffusion-limited unbinding of small peptides from PDZ domains

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Diffusive dynamics of water in the presence of homologous disaccharides: a comparative study by Quasi Elastic Neutron Scattering.IV.

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Dimerization and polymerization of isoprene at high pressures

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Direct Evidence for Excitation Energy Transfer Limitations Imposed by Low-Energy Chlorophylls in Photosystem I-Light Harvesting Complex i of Land Plants

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Direct investigation of orbital ordering in a colossal magnetoresistance manganite by means of X-ray linear dichroism at the Mn L edge

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Direct investigation of orbital ordering in a colossal magnetoresistance manganite by means of X-ray linear dichroism at the Mn L edge

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Distribution and Dynamic Properties of Xenon Dissolved in the Ionic Smectic Phase of [C(16)mim][NO3]: MD Simulation and Theoretical Model

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Doping dependence of the electronic structure of La1-xNaxMnO3 by resonant X-ray emission and X-ray absorption spectroscopy

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Dual Fluorescence through Kasha's Rule Breaking: An Unconventional Photomechanism for Intracellular Probe Design

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Dynamic Surface Properties of Mixed Dispersions of Silica Nanoparticles and Lysozyme

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Dynamic elasticity of adsorption layers in the presence of internal reorientation processes

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Dynamical Behavior Near a Liquid-Liquid Phase Transition in Simulations of Supercooled Water

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Dynamical Crossover in Hot Dense Water: The Hydrogen Bond Role

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Dynamical transition in a small helical peptide and its implication for vibrational energy transport

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Dynamically correlated regions and configurational entropy in supercooled liquids

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Dynamics and Binding Affinity of Spin-Labeled Stearic Acids in beta-Lactoglobulin: Evidences from EPR Spectroscopy and Molecular Dynamics Simulation

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Dynamics of Biological Water: Insights from Molecular Modeling of Light Scattering in Aqueous Trehalose Solutions

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Dynamics of Dimethylbutanols in Plastic Crystalline Phases by Field Cycling 1H NMR Relaxometry

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Dynamics of Ethylene-Propylene Random Copolymers by 1H and 13C Solid-State NMR

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Dynamics of Polymer Chains in Poly(ethylene oxide)/Silica Nanocomposites via a Combined Computational and Experimental Approach

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Dynamics of an amorphous polymer by an improved NMR approach based on the simultaneous analysis of 1H and 13C relaxation times

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Dynamics of the Chiral Liquid Crystal 4?-Butyl-4-(S)-(2-methylbutoxy)azoxybenzene in the Isotropic, Cholesteric, and Solid Phases: A Fast Field-Cycling NMR Relaxometry Study

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Effect of C5-Methylation of Cytosine on the UV-Induced Reactivity of Duplex DNA: Conformational and Electronic Factors

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Effect of Cation Symmetry and Alkyl Chain Length on the Structure and Intermolecular Dynamics of 1,3-Dialkylimidazolium Bis(trifluoromethanesulfonyl)amide Ionic Liquids.

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Effect of Cation Symmetry on the Morphology and Physicochemical Properties of Imidazolium Ionic Liquids

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Effect of Electric Field Orientation on the Mechanical and Electrical Properties of Water Ices: An Ab-initio Study.

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Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation

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Effect of Methylation on the Properties of the H-Bridges in DNA. A Systematic Theoretical Study on the Couples of Base Pairs

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Effect of Nanoparticles on the Interfacial Properties of Liquid-Liquid and Liquid-Air Surface Layers

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Effect of SiO2 on Relaxation Phenomena and Mechanism of Ion Conductivity of [NafionTM117/(SiO2)x] Composite Membranes

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Effect of aging the glass of isotactic polybutene-1 on Form II nucleation and cold-crystallization

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Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study

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Effect of the chain length on the structure of ionic liquids: from spatial heterogeneity to ionic liquid crystals.

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Effects of Magnetic Field Cycle on the Polarization Transfer from Parahydrogen to Heteronuclei through Long-Range J-Couplings

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Effects of Polar Head Nature and Tail Length of Single-Chain Lipids on the Conformational Stability of beta-Lactoglobulin

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Effects of sugars and polyols on the stability of azurin in ice.

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Effects of surface chemical composition on the early growth stages of alpha-sexithienyl films on silicon oxide substrates

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Electrochemical and spectroscopic behavior of Iron(III) porphyrazines in Langmuir-Schäfer films

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Electrodissolution and passivation of silicon in aqueous alkaline media: A voltammetric and impedance investigation

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Electron Transport Properties of Diarylethene Photoswitches by a Simplified NEGF-DFT Approach

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Electron channels in biomolecular nanowires

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Electron paramagnetic resonance spectroscopy of iron (III)-doped MF1 zeolite. 1. Multifrequency CW-EPR

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Electron paramagnetic resonance, scanning electron microscopy with energy dispersion X-ray spectrometry, X-ray powder diffraction, and NMR characterization of iron-rich fired clays

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Electron transfer between quinones in photosynthetic reaction centers

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Electron transfer between quinones in photosynthetic reaction centers

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Electronic and Magnetic Properties of Ni Nanoparticles Embedded in Various Organic Semiconductor Matrices

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Electronic and atomistic structures of clean and reduced ceria surfaces

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Electronic and structural shell closure in AgCu and AuCu nanoclusters

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Element-specific probe of the magnetic and electronic properties of Dy incar-fullerenes

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Emergence of Barrel Motif in Amyloid-beta Trimer: A Computational Study

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Energetics of Protein Nucleation on Rough Polymeric Surfaces

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Energy Dispersive X-ray Reflectometry of the NO2 Interaction with Ruthenium Phthalocyanine Films

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Energy Transport in Peptide Helices: A Comparison between High- and Low-Energy Excitations

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Entropy and Fluid-Fluid Separation in Nonadditive Hard-Sphere Mixtures

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Entropy and correlations in a fluid of hard spherocylinders:The onset of nematic and smectic order

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Entropy and fluid-fluid separation in nonadditive hard-sphere mixtures: The asymmetric case

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Evidence for anomalous hydration dynamics near a model hydrophobic peptide

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Evidence of Coexistence of Change of Caged Dynamics at Tg and the Dynamic Transition at Td in Solvated Proteins

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Evidence of Dynamical Constraints Imposed by Water Organization around a Bio-Hydrophobic Interface

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Evidence of Heterogeneous Aggregation in Methanol/CCl4 Mixtures: A Brillouin Scattering

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Evidence of catalase mimetic activity in Ce3+/Ce4+ doped bioactive glasses

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Evolution of the Pt layer deposited on MgO(001) by PLD as a function of the deposition parameters: a Scanning Tunneling Microscopy and Energy Dispersive X-ray Diffractometry/Reflectometry study

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Excess Thermodynamic Properties in Mixtures of a Representative Room-Temperature Ionic Liquid and Acetonitrile

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Excitation energy transfer in the photosystem II core antenna complex CP43 studied by femtosecond visible/visible and visible/mid-infrared pump probe spectroscopy

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Existence of metastable intermediate lysozyme conformation highlights the role of alcohols in altering protein stability

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Experimental Evidence of Single-Stranded DNA Adsorption on Multiwalled Carbon Nanotubes

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FUNCTIONALITY OF PHOTOSYNTHETIC REACTION CENTERS IN POLYELECTROLYTE MULTILAYERS: TOWARDS AN HERBICIDE BIOSENSOR

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Factors governing the conformational tendencies of C-alpha-ethylated alpha-amino acids: chirality and side-chain size effects

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Fast H-vacancy dynamics during alanate decomposition by anelastic spectroscopy. Proposition of a model for Ti-enhanced hydrogen transport

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Femtosecond Differential Transmission Spectroscopy of a-Sexithienyl Thin Film at Low Temperature

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First Principles Effective Electronic Couplings for Hole Transfer in Natural and Size-Expanded DNA

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First principles studies of vanadia-titania monolayer catalysts: Mechanisms of NO selective reduction

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Fluorescence quenching of buried Trp residues by acrylamide does not require penetration of the protein fold.

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Free energy profile for CO binding to separated chains of human and Trematomus newnesi hemoglobin: insights from MD simulations and Perturbed Matrix Method

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Free energy profile for CO binding to separated chains of human and Trematomus newnesi hemoglobin: insights from MD simulations and perturbated matrix method

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From Fractal to Nanorod Porphyrin J-Aggregates. Concentration-Induced Tuning of the Aggregate Size

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Fullerene-like III-V clusters: A density functional theory prediction

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Fully Atomistic Multiscale Approach for pK(a) Prediction

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Fully Atomistic Simulations of the Ionic Liquid Crystal [C(16)mim][NO3]: Orientational Order Parameters and Voids Distribution

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Gaining an Insight into the Photoreactivity of a Drug in a Protein Environment: A Case Study on Nalidixic Acid and Serum Albumin

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Glassy and polymer dynamics of elastomers by 1H-field-cycling nmr relaxometry: Effects of fillers

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Grafting derivatives of Mn-6 single-molecule magnets with high anisotropy energy barrier on Au(111) surface

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Growth of NiO on Ag(001): Atomic environment, strain, and interface relaxations studied by polarization dependent extended X-ray absorption fine structure

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Hierarchical Effect behind the Supramolecular Chirality of Silver(I)-Cysteine Coordination Polymers

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High-Pressure Reactivity of L,L-Lactide

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High-Pressure Reactivity of Model Hydrocarbons Driven by Near-UV Photodissociation of Water

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High-Resolution In-Situ Structural Measurements of the Li4/3Ti5/3O4 "Zero-Strain" Insertion Material

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How conformational flexibility stabilizes the hyperthermophilic elongation factor G-domain

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Hybrid junctions of Zn(II) and Mg(II) phthalocyanine with wide band gap semiconductor nano-oxides: spectroscopical and photoelectrochemical characterization

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Hybrid niosome complexation in the presence of oppositely charged polyions

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Hybridization of Genomic DNA Adsorbed Electrostatically onto Cationic Surfaces

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Hydration Shell of Antifreeze Proteins: Unveiling the Role of Non-Ice-Binding Surfaces

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Hydration and Aggregation in Mono- and Disaccharide Aqueous Solutions by Gigahertz-to-Terahertz Light Scattering and Molecular Dynamics Simulations

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Hydrogen Bonding Features in Cholinium-Based Protic Ionic Liquids from Molecular Dynamics Simulations

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Hydrophobic Hydration in Water- tert -Butyl Alcohol Solutions by Extended Depolarized Light Scattering

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Identification of Domains in Protein Structures from the Analysis of Intramolecular Interactions

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Identifying, By First-Principles Simulations, Cu[Amyloid-beta] Species Making Fenton-Type Reactions in Alzheimer's Disease

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Impact of the Stereochemical Structure on the Thermal Phase Behaviour of a Cationic Gemini Surfactant

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Implications of Anion Structure on Physicochemical Properties of DBU-Based Protic Ionic Liquids

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In Silico Interpretation of cw-ESR at 9 and 95 GHz of Mono- and bis- TOAC-Labeled Aib-Homopeptides in Fluid and Frozen Acetonitrile

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In Situ Energy Dispersive X-ray Diffraction Study of LiNi0.8Co0.2O2 Cathode Material for Lithium Batteries

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In situ and frontal polymerization for the consolidation of porous stones: an unilateral NMR and a Magnetic Resonance Imaging study

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Influence of Denaturants on Native-State Structural Fluctuations in Azurin Probed by Molecular Size-Dependent Quenching of Trp Phosphorescence

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Influence of Dimethyl Sulfoxide on the Low-Temperature Behavior of Cholesterol-Loaded Palmitoyl-oleyl-phosphatidylcholine Membranes

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Influence of cardiolipin on the functionality of the QA site of the photosynthetic bacterial reaction center

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Influence of cellulosic additives on tricalcium silicate hydration: nuclear magnetic resonance relaxation time analysis

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Influence of the Structural Properties of Poly(vinylidene fluoride) Membranes on the Heterogeneous Nucleation Rate of Protein Crystals

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Influence of the silane modifiers on the surface thermodynamic characteristics and dispersion of the silica into elastomer compounds

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Inhibition by CO and polarization in Pd-based membranes: a novel permeance reduction coefficient

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Initial oxidation of a Rh(110) surface using atomic or molecular oxygen and reduction of the surface oxide by hydrogen

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Inside New Materials: An Experimental Numerical Approach for the Structural Elucidation of Nanoporous Cross-Linked Polymers

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Insights into the Thermally Activated Cyclization Mechanism in a Linear Phenylalanine-Alanine Dipeptide

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Insights on the isotropic-to-Smectic a transition in ionic liquid crystals from coarse-grained molecular dynamics simulations: The role of microphase segregation

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Inter- And Intramolecular Interactions in Ether-Functionalized Ionic Liquids

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Interaction between As(III) and Simple Thioacids in Water: An Experimental and ab Initio Molecular Dynamics Investigation

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Interaction of Caffeine with Model Lipid Membranes

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Interaction of NO with nanosized Ru-, Pd-, and Pt-doped SnO2: Electron paramagnetic resonance, Mössbauer, and electrical investigation

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Interaction of azole compounds with DOPC and DOPC/Ergosterol bilayers by spin probe EPR spectroscopy: implications for antifungal activity

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Interaction of hydrogen with cerium oxide surfaces: A quantum mechanical computational study

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Interdependence of primary and Johari-Goldstein secondary relaxations in glass-forming systems

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Interfacial electrostatics of self-assembled monolayers of alkane thiolates on Au(111): Work function modification and molecular level alignments

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Interfacial water structure controls protein conformation

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Intrinsic and Extrinsic Paramagnetic Centers in Zirconia

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Investigating Allostery in Molecular Recognition: Insights from a Computational Study of Multiple Antibody-Antigen Complexes

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Investigation of the processes of electron injection during dissolution of p-Si in acidic fluoride and alkaline media

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Investigations of the structure of H(2)O clusters adsorbed on TiO(2) surfaces by near-infrared absorption spectroscopy

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Ion Motion in Electrolytic Cells: Anomalous Diffusion Evidences

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Ion Pair Formation between Tertiary Aliphatic Amines and Perchlorate in the Biphasic Water/Dichloromethane System

Articolo

Is It Possible to Extend the Coleman-Fox Method for Polymer Sequence Determination by NMR to Copolycondensates?

Articolo

Is the G-Quadruplex an Effective Nanoconductor for Ions?

Articolo

Iso-Oriented Lyotropic Lamellar Phase in the C12E6/D2O System

Articolo

Isotopic Effect on the Gel and Glass Formation of a Charged Colloidal Clay: Laponite

Articolo

K-stabilized high-oxygen-coverage states on Rh(110): A low-pressure pathway to formation of surface oxide

Articolo

Key Role of Proximal Water in Regulating Thermostable Proteins

Articolo

Kinetic effects of alcohol addition on the anodic behavior of silicon in acid fluoride media

Articolo

Kinetics and thermodynamics of sucrose hydrolysis from real-time enthalpy and heat capacity measurements.

Articolo

Laser control of desorption through selective surface excitation

Articolo

Liquid Structure of 1-Ethyl-3-methylimidazolium Alkyl Sulfates by X-ray Scattering and Molecular Dynamics

Articolo

Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study

Articolo

Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study

Articolo

Liquid Structure of a Water-in-Salt Electrolyte with a Remarkably Asymmetric Anion

Articolo

Liquid crystal properties of the n-alkyl-cyanobiphenyl series from atomistic simulations with Ab initio derived force fields

Articolo

Local Structure and Dynamics of Water Absorbed in Poly(ether imide): A Hydrogen Bonding Anatomy

Articolo

Long-Lived Charge-Separated State in Naphthalimide-Phenothiazine Compact Electron Donor-Acceptor Dyads: Effect of Molecular Conformation Restriction and Solvent Polarity

Articolo

Long-Lived Photoinduced Charges in Donor-Acceptor Anthraquinone-Substituted Thiophene Copolymers.

Articolo

Low-Energy Vibrational Dynamics of Cesium Borate Glasses

Articolo

Machine Learning of Allosteric Effects: The Analysis of Ligand-Induced Dynamics to Predict Functional Effects in TRAP1

Articolo

Measurement of DNA Morphological Parameters at Highly Entangled Regime on Surfaces

Articolo

Mechanism of Folding and Binding of the N-Terminal SH2 Domain from SHP2

Articolo

Mechanism of Quinol Oxidation by Ferricenium Produced by Light Excitation in Reaction Centers of Photosynthetic Bacteria

Articolo

Mechanism of the Intramolecular Charge Transfer State Formation in all-trans-beta-Apo-8 '-carotenal: Influence of Solvent Polarity and Polarizability

Articolo

Melting of DNA Nonoriented Fibers: A Wide-Angle X-ray Diffraction Study

Articolo

Membrane Interactions and Conformational Preferences of Human and Avian Prion N-terminal tandem repeats: the role of copper(II) ions, pH, and membrane mimicking

Articolo

Metal - Support interaction and redox behavior of Pt(1 wt %)/Ce 0.6Zr0.4O2

Articolo

Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation

Articolo

Mid-Range Structure of Niobium-Sodium-Phosphate Electro-Optic Glasses

Articolo

Modeling Copper Binding to the Amyloid-beta Peptide at Different pH: Toward a Molecular Mechanism for Cu Reduction

Articolo

Modeling a liquid crystal dynamics by atomistic simulation with an ab initio derived force field

Articolo

Modeling the Crossover between Chemically and Diffusion-Controlled Irreversible Aggregation in a Small-Functionality Gel-Forming System

Articolo

Modeling the Cu+ binding in the 1-16 region of the amyloid-beta peptide involved in Alzheimer s disease

Articolo

Modelling time-resolved two-dimensional electronic spectroscopy of the primary photoisomerization event in rhodopsin

Articolo

Molecular Recognition Through H-Bonding in Micelles Formed by Dioctylphosphatidyl Nucleosides

Articolo

Molecular host-guest energy-transfer system with an ultralow amplified spontaneous emission threshold employing an ambipolar semiconducting host matrix

Articolo

Molecular packing effects on the optical spectra and triplet dynamics in oligofluorene films

Articolo

Molecular packing effects on the optical spectra and triplet dynamics in oligofluorene films

Articolo

Molecular view of water dynamics near model peptides

Articolo

Monitoring two-dimensional coordination reactions: Directed assembly of Co-terephthalate nanosystems on Au(111)

Articolo

Morphology of poly(ethylene oxide) dissolved in a room temperature ionic liquid: a small angle neutron scattering study

Articolo

Multi-mode resonant Auger scattering from the ethene molecule

Articolo

Multiscale Approach to the Structural Study of Water Confined in MCM41

Articolo

Multistep Current Signal in Protein Translocation through Graphene Nanopores

Articolo

N2- radical anion reversibly formed at the surface of "electron-rich" alkaline-earth oxides

Articolo

NMR study of the adsorption-desorption kinetics of dissolved tetraalanine in MCM-41 mesoporous material

Articolo

NMR, Calorimetry, and Computational Studies of Aqueous Solutions of N-Methyl-2-pyrrolidone

Articolo

Nanoscale In Situ Morphological Study of Proteins Immobilized on Gold Thin Films

Articolo

Nanoscale disassembly and free radical reorganization of polydopamine in ionic liquids

Articolo

Nanoscale segregation in room temperature ionic liquids

Articolo

Nanosized porphyrin J-aggregates in water/AOT/decane microemulsions

Articolo

Nature of Mesoscopic Organization in Protic Ionic Liquid-Alcohol Mixtures

Articolo

Networking Properties of Cyclodextrin-Based Cross-Linked Polymers Probed by Inelastic Light-Scattering Experiments

Articolo

New Evidence About the Spontaneous Symmetry Breaking: Action of an Asymmetric Weak Heat Source

Articolo

New Insight in Protein-Ligand Interactions. 2. Stability and Properties of Two Mutant Forms of the d-Galactose/d-Glucose-Binding Protein from E. coli

Articolo

New insight in protein-ligand interactions. 2. Stability and properties of two mutant forms of the d-galactose/D-glucose-binding protein from E. coli

Articolo

New insight in protein-ligand interactions. The case of the D-galactose/D-glucose-binding protein from E. coli.

Articolo

New insight into protein-ligand interactions. the case of the d-galactose/ d-glucose-binding protein from escherichia coli

Articolo

Nonergodic arrested state in diluted clay suspensions monitored by triple-quantum Na-23 nuclear magnetic resonance

Articolo

Nonradiative relaxation in thiophene-S,S-dioxide derivatives: the role of the environment

Articolo

Normal Vibrational Analysis of a Trans-planar Syndiotactic Polystyrene Chain

Articolo

Normal Vibrational Analysis of the Syndiotactic Polystyrene s(2/1)2 Helix

Articolo

Nuclear Quadrupole Coupling of 17O and 33S in Ionic Solids: Invalidation of the Sternheimer Model by Short-Range Corrections

Articolo

Numerical Analysis of Nonionic Surfactant Monolayers at Water/Air Interfaces

Articolo

Observation of Long-Lived Charge-Separated States in Anthraquinone-Phenothiazine Electron Donor-Acceptor Dyads: Transient Optical and Electron Paramagnetic Resonance Spectroscopic Studies

Articolo

On static and dynamic heterogeneities in water

Articolo

On the Cause of Controlling Affinity to Small Molecules of Imprinted Polymeric Membranes Prepared by Noncovalent Approach: A Computational and Experimental Investigation

Articolo

On the interplay between CH···O and OH···O interactions in determining crystal packing and molecular conformation: an experimental and theoretical charge density study of the fungal secondary metabolite austdiol (C12H12O5)

Articolo

On the magnetic alignment of metal ions in a DNA-mimic double helix

Articolo

On the role of internal water on protein thermal stability: the case of homologous G-domains

Articolo

One-dimensional cluster growth and branching gels in colloidal systems with short-range depletion attraction and screened electrostatic repulsion

Articolo

One-electron reduction of 8-bromo-2-aminoadenosine: Chemical radiation and DFT studies of the mechanism

Articolo

Optical Properties of Saturated and Unsaturated Carbonyl Defects in Polyethylene

Articolo

Optical Properties of Triplex DNA from Time-Dependent Density Functional Theory

Articolo

Optical properties of N-succinimidyl bithiophene and the effects of the binding to biomolecules: Comparison between coupled-cluster and time-dependent density functional theory calculations and experiments

Articolo

Optical properties of N-succinimidyl-bithiophene and the effects of the binding to biomolecules: comparison between coupled-cluster and time-dependent density-functional theory calculations and experiment

Articolo

Optimization of Tailoring of CuOx Species of Silica Alumina Supported Catalysts for the Selective Catalytic Reduction of NOx

Articolo

Optimization of analytical potentials for coarse grained bio-polymers models

Articolo

Ordered (3 x 4) High-Density Phase of Methylthiolate on Au(111)

Articolo

Ordered patterning of nanometric rings of single molecule magnets on polymers by lithographic control of de mixing

Articolo

Orientational Order of Two Fluoro- and Isothiocyanate-Substituted Nematogens by Combination of C-13 NMR Spectroscopy and DFT Calculations

Articolo

Orientational order of fluorinated mesogens containing the 1,3,2-dioxaborinane ring: a multidisciplinary approach

Articolo

Orientational order, molecular organization, and dynamics in mixtures of bent-core and rod-shaped mesogens: a 2H NMR study

Articolo

Origin of the anomalous two-photon absorption in fluorescent protein DsRed

Articolo

Oxygen Optical Gas Sensing by Reversible Fluorescence Quenching in Photo-Oxidized Poly(9,9-dioctylfluorene) Thin Films

Articolo

Peptide/TiO2 surface interaction in solution by ab-initio and molecular dynamics simulations

Articolo

Peptides on the Surface. PELDOR Data for Spin-Labeled Alamethicin F50/5 Analogues on Organic Sorbent

Articolo

Periodic density functional theory studies of vanadia-titania catalysts: Structure and stability of the oxidized monolayer

Articolo

Phase Diagram of the C12E6/D2O System Revisited: Effect of strong magnetic Fields

Articolo

Phase Transitions of PYR14-TFSI as a Function of Pressure and Temperature: the Competition between Smaller Volume and Lower Energy Conforme

Articolo

Phase diagram of pentacene growth on Au(110)

Articolo

Phase-Transition-Induced Protein Redistribution in Lipid Bilayers

Articolo

Photoexcitation of a Light-Harvesting Supramolecular Triad: A Time-Dependent DFT Study

Articolo

Photoinduced Electron Transfer in DNA: Charge Shift Dynamics Between 8-Oxo-Guanine Anion and Adenine

Articolo

Photoinduced Electron Transfer in Ruthenium(II)/Tin(IV) Multiporphyrin Arrays

Articolo

Photoinduced Processes in Self-Assembled Porphyrin/Perylene Bismide Metallosupramolecular Boxes

Articolo

Photoinduced Reactivity of Liquid Ethanol at High Pressure

Articolo

Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: On-the-fly surface-hopping study with semiempirical methods

Articolo

Photophysical and Computational Insights into Ag(I) Complexation of Porphyrinic Covalent Cages Equipped with Triazoles-Incorporating Linkers

Articolo

Photophysics and Photochemistry of Thymine Deoxy-Dinucleotide in Water: A PCM/TD-DFT Quantum Mechanical Study

Articolo

Photorefractive index modulation in chiral smectic phases

Articolo

Photoreversible dark state in a tristable green fluorescent protein variant

Articolo

Physical and Chemical Properties of Nanocomposite Polymer Electrolytes

Articolo

Physico-Chemical Investigation of the State of Cyanamide Confined in AOT and Lecithin Reversed Micelles

Articolo

Physicochemical Characterization of Solute Retention in Solvent Resistant Nanofiltration: the Effect of Solute Size, Polarity, Dipole Moment, and Solubility Parameter

Articolo

Physicochemical Investigation of Lightfast AgCl and AgBr Nanoparticles Synthesized by a Novel Solid-Solid Reaction

Articolo

Physicochemical properties of zwitterionic L- and DL-alanine crystals from their experimental and theoretical charge densities

Articolo

Point defect dynamics and evolution of chemical reactions in alanates by anelastic spectroscopy

Articolo

Polar fluorenes and spirobifluorenes: fluorescence and fluorescence anisotropy spectra

Articolo

Positive and negative charge carriers in doped or photoexcited polydithienothiophenes: A comparative studylectron spin resonance spectroscopy

Articolo

Preferential solvation and self-association in alcohol-acetonitrile mixtures observed through mass spectrometric analysis of clusters: Influence of alkyl chain length

Articolo

Preparation and characterization of antimony-doped tin dioxide electrodes. 3. XPS and SIMS characterization

Articolo

Preparation and characterization of antimony-doped tin dioxide electrodes. 3. XPS and SIMS characterization.

Articolo

Prepeak and First Sharp Diffraction Peak in the Structure Factor of (Cs2O)(0.14)(B2O3)(0.86) Glass: Influence of Temperature

Articolo

Pressure Induced Reactivity of Solid CO by FTIR Studies

Articolo

Pressure effect on optical bandshape of solid oxygen.

Articolo

Pressure effects on the structure and stability of the hyperthermophilic trehalose/maltose-binding protein from Thermococcus litoralis

Articolo

Pressure-induced polymerization in solid ethylene

Articolo

Primary Photoprocesses Involved in the Sensory Protein for the Photophobic Response of Blepharisma japonicum

Articolo

Probing Charge Transport in Oxidatively Damaged DNA-Sequences under the Influence of Structural Fluctuations.

Articolo

Properties of mixed DOTAP-DPPC bilayer membranes as reported by differential scanning calorimetry and dynamic light scattering measurements

Articolo

Properties of the thiobase pairs hydrogen bridges: a theoretical study

Articolo

Prostasome self-fusion studied by atomic force microscopy

Articolo

Prostasome self-fusion studied by atomic force microscopy

Articolo

Protein phosphorescence quenching: distinction between quencher penetration and external quenching mechanisms.

Articolo

Protein-Protein Interactions in Dilute to Concentrated Solutions: alpha-Chymotrypsinogen in Acidic Conditions

Articolo

Proton Conduction in Water Ices under an Electric Field

Articolo

Pyrazolium- versus Imidazolium-Based Ionic Liquids: Structure, Dynamics and Physicochemical Properties

Articolo

Quantum Dynamics of the Ultrafast pi pi/n pi Population Transfer in Uracil and 5-Fluoro-Uracil in Water and Acetonitrile

Articolo

Radicals Generated in Tetramolecular Guanine Quadruplexes by Photoionization: Spectral and Dynamical Features

Articolo

Raman Line Imaging of Poly(epsilon-caprolactone)/Carbon Dioxide Solutions at High Pressures: A Combined Experimental and Computational Study for Interpreting Intermolecular Interactions and Free-Volume Effects

Articolo

Reaction of Hydrated Electrons with Guanine Derivatives: Tautomerism of Intermediate Species

Articolo

Reactive growth of tantalum silicides in Ta-Si diffusion couples

Articolo

Reductive activation of the nitrogen molecule at the surface of "electron-rich" MgO and CaO. The N2- surface adsorbed radical ion

Articolo

Relation between Low-Temperature Thermal Conductivity and the Specific Heat of Cesium Borate Glasses

Articolo

Relation between the alpha-Relaxation and Johari-Goldstein beta-Relaxation of a Component in Binary Miscible Mixtures of Glass-Formers

Articolo

Relationship between structure and CO oxidation activity of ceria supported gold catalysts

Articolo

Relationship between the nanostructures and the optical properties of CeO2 thin films

Articolo

Relaxation Dynamics and Phase Transitions in Ionic Liquids: Viscoelastic Properties from the Liquid to the Solid State

Articolo

Relaxation Process and Dynamical Heterogeneities in Chemical Gels: Critical Behavior of Self-Overlap and Its Fluctuation

Articolo

Relaxation processes in room temperature ionic liquids: the case of 1-butyl-3-methyl imidazolium hexafluorophosphate

Articolo

Reply to "Comment on 'Behavior of Supercritical Fluids across the Frenkel Line'"

Articolo

Role of Denaturation in Maltose Binding Protein Translocation Dynamics

Articolo

Role of Internal Water on Protein Thermal Stability: The Case of Homologous G Domains

Articolo

Role of Local Structure and Dynamics of Small Ligand Migration in Proteins: A Study of a Mutated Truncated Hemoprotein from Thermobifida fusca by Time Resolved MIR Spectroscopy

Articolo

Role of Metal Nanoparticles in TiO2/Ag Nanocomposite-Based Homogeneous Photocatalysis

Articolo

Role of Water during the Extrusion of Substrates by the Efflux Transporter AcrB

Articolo

Role of counteranions in acid-induced aggregation of isomeric tetrapyridylporphyrins in organic solvents

Articolo

Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model

Articolo

Role of the Subunit Interactions in the Conformational Transitions in Adult Human Hemoglobin: An Explicit Solvent Molecular Dynamics Study

Articolo

Role of the coulombic interaction in ligand-induced biopolymer aggregation

Articolo

Rotational invariance and double frustration in the structures of gold clusters growing around the Fs-defected MgO(100) surface

Articolo

SO2 on TiO2(110) and Ti2O3(1012) nonpolar surfaces: A DFT study

Articolo

Secondary nucleation and accessible surface in insulin amyloid fibril formation

Articolo

Self-Assembled Calixarene Derivative as a Supramolecular Polymer

Articolo

Self-Assembly of a Designed Amyloid Peptide Containing the Functional Thienylalanine Unit

Articolo

Self-assembling properties of a membrane-modifying lipopeptaibol in weakly polar solvents studied by CW ESR

Articolo

Self-organization pathways and spatial heterogeneity in insulin amyloid fibril formation

Articolo

Semiempirical (ZINDO-PCM) approach to predict the radiative and nonradiative decay rates of a molecule close to metal particles

Articolo

Semiempirical study of the electronic and optical properties of the Er(8-hydroxyquinolinate)3 complex

Articolo

Short-range structure of a GM3 ganglioside membrane: Comparison between experimental WAXS and computer simulation results

Articolo

Sieverts law empirical exponent for Pd-based membranes: critical analysis in pure H2 permeation

Articolo

Simulation of the Amide! Infrared Spectrum in Photoinduced Peptide Folding/Unfolding Transitions

Articolo

Small Arenethiol Passivated Gold Nanoparticles

Articolo

Small-angle X-ray scattering and light scattering on lysozyme and sodium glycocholate micelles

Articolo

Smectic ordering of parallel hard spherocylinders: An entropy-based Monte Carlo study

Articolo

Solvation of lithium salts in protic ionic liquids: A molecular dynamics study

Articolo

Solvent Effect on the Singlet Excited State Dynamics of 5-Fluorouracil in Acetonitrile as Compared to Water

Articolo

Solvent Effects and Aggregation Phenomena Studied by Vibrational Optical Activity and Molecular Dynamics: The Case of Pantolactone

Articolo

Solvent Effects on the UV (n -> ?*) and NMR (13C and 17O) Spectra of Acetone in Aqueous Solution. An Integrated Car-Parrinello and DFT/PCM Approach

Articolo

Solvent isotope effect on Azurin thermal unfolding

Articolo

Some evidences of scaling behavior in the relaxation dynamics of aqueous polymer solutions

Articolo

Spatial Control of 3D Energy Transfer in Supramolecular Nanostructured Host-Guest Architectures

Articolo

Specific Anions Effects of on the Stability of Azurin in Ice.

Articolo

Spectroscopic Study on Imidazolium-Based Ionic Liquids: Effect of Alkyl Chain Length and Anion

Articolo

Spectroscopic and Structural Investigation of the Confinement of D and L Dimethyl Tartrate in Lecithin Reverse Micelles

Articolo

Spectroscopic and structural investigation of the confinement of d and I dimethyl tartrate in lecithin reverse micelles

Articolo

Spin-canting and magnetic anisotropy in ultrasmall CoFe2O4 nanoparticles

Articolo

Stability and migration of metal ions in G4-wires by molecular dynamics simulations

Articolo

Statistical ring catenation under thermodynamic control: Should the Jacobson-Stockmayer cyclization theory take into account catenane formation?

Articolo

Strain-dependence of the electronic properties in periodic quadruple helical G4-wires

Articolo

Stress-Induced Modification of the Boson Peak Scaling Behavior

Articolo

Structural Features of beta-Cyclodextrin Solvation in the Deep Eutectic Solvent, Reline

Articolo

Structural Properties of 1-Alkyl-3-methylimidazolium Bis{(trifluoromethyl)sulfonyl}amide Ionic Liquids: X-ray Diffraction Data and Molecular Dynamics Simulations

Articolo

Structural Properties of Polyglutamine Aggregates Investigated via Molecular Dynamics Simulations

Articolo

Structural Rearrangements in 5,10,15,20-Tetrakis(4-sulfonatophenyl)porphyrin J-Aggregates under Strongly Acidic Conditions

Articolo

Structural Relaxation Processes in Polyethylene Glycol/CCl4 Solutions by Brillouin Scattering

Articolo

Structural and Morphological Investigation of Ceria-promoted Al2O3 Under Severe Reducing/oxidizing Conditions

Articolo

Structural and morphological investigation of ceria-promoted Al2O3 under severe reducing/oxidizing conditions

Articolo

Structural flexibility of a helical peptide regulates vibrational energy transport properties

Articolo

Structural investigations on the hydrolysis and condensation behavior of pure and chemically modified alkoxides. 1. Transition metal (Hf and Ta) alkoxides

Articolo

Structural investigations on the hydrolysis and condensation behavior of pure and chemically modified alkoxides. 2. Germanium alkoxides

Articolo

Structural rearrangements in 5,10,15,20-tetrakis(4-sulfonatophenyl)porphyrin J-aggregates under strongly acidic conditions

Articolo

Structural unfreezing and endothermic effects in liquids, beta-D-fructose

Articolo

Structure-Based Exciton Hamiltonian and Dynamics for the Reconstituted Wild-type CP29 Protein Antenna Complex of the Photosystem II

Articolo

Study of mechanisms of light-induced dissociation of Ru(dcbpy)(CO)(2)I-2 in solution down to 20 fs time resolution

Articolo

Supercoiling and Local Denaturation of Plasmids with a Minimalist DNA Model

Articolo

Supercooled Liquid Dynamics Studied via Shear-Mechanical Spectroscopy

Articolo

Supported lipid bilayers on mica and silicon oxide: Comparison of the main phase transition behavior

Articolo

Surfactant-like behaviour of short-chain alcohols in porphyrin aggregation

Articolo

Symmetric and Asymmetric Bolaamphiphiles from Ascorbic Acid

Articolo

Synthesis and characterization of a novel terthiophene-based quinodimethane bearing a 3,4-ethylenedioxythiophene central unit

Articolo

Synthesis of Ultra-small ZnS Nanoparticles by Solid-Solid Reaction in the Confined Space of AOT reversed micelles

Articolo

Synthesis, Morphology, and Magnetic Characterization of Iron Oxide Nanowires and Nanotubes

Articolo

Target analysis of primary photoprocesses involved in the oxyblepharismin-binding protein

Articolo

Temperature Dependence of the Primary Relaxation in 1-Hexyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide

Articolo

Temperature Dependence of the Primary Relaxation in 1-Hexyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide

Articolo

Temperature Dependence of the Structural Relaxation Time in Equilibrium below the Nominal T-g: Results from Freestanding Polymer Films

Articolo

The Boson Peak of Amyloid Fibrils: Probing the Softness of Protein Aggregates by Inelastic Neutron Scattering

Articolo

The Complex Dance of the Two Conformers of Bis(trifluoromethanesulfonyl)imide as a Function of Pressure and Temperature

Articolo

The Decay from the Dark n/pi* Excited State in Uracil: An Integrated CASPT2/CASSCF and PCM/TD-DFT Study in the Gas Phase and in Water

Articolo

The Dynamical Transition of Lipid Multilamellar Bilayers as a Matter of Cooperativity

Articolo

The Interpretation of Diffraction Patterns of Two Prototypical Protic Ionic Liquids: a Challenging Task for Classical Molecular Dynamics Simulations

Articolo

The Low-Temperature Endotherm in Poly(ethylene terephthalate): Partial Melting and Rigid Amorphous Fraction Mobilization

Articolo

The Protein "Glass" Transition and the Role of the Solvent

Articolo

The Structural Role of Mg2+ Ions in a Class I RNA Polymerase Ribozyme: A Molecular Simulation Study

Articolo

The chromophore of asFP595: A theoretical study

Articolo

The coordination chemistry of carbon nanotubes: a density functional study through a cluster model approach

Articolo

The decay from the dark n pi* excited state in uracil: An integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water

Articolo

The effect of Cyclodextrins on the physicochemical properties of Chlorophyll a in aqueous solution

Articolo

The hydrolysis mechanism of the anticancer ruthenium drugs NAMI-A and ICR investigated by DFT-PCM calculations

Articolo

The microscopic switching mechanism of a [2]catenane

Articolo

The reorganization energy of azurin in bulk solution and in the electrochemical scanning tunneling microscopy setup

Articolo

The role of the crystallization temperature on the nanophase structure evolution of poly[(R)-3-hydroxybutyrate]

Articolo

The role of water coordination in binary mixtures. a study of two model amphiphilic molecules in aqueous solutions by molecular dynamics and NMR

Articolo

The study of polythiophene/water interfaces by sum-frequency generation spectroscopy and molecular dynamics simulations

Articolo

Theoretical Modeling of Enzyme Reactions: The Thermodynamics of Formation of Compound 0 in Horseradish Peroxidase

Articolo

Theoretical investigation of the hydrogen atom transfer in the cytosine-guanine base pair and its coupling with the electronic rearrangement. Concerted vs stepwise mechanism

Articolo

Thermal Treatment Effect on the Structure and Property Change between Hydroxy-Containing Polyimides (HPIs) and Thermally Rearranged Polybenzoxazole (TR-PBO)

Articolo

Thermal and Structural Properties of Ethylammonium Chloride and Its Mixture with Water

Articolo

Thermodynamic stability of the fluid-fluid phase separation in binary athermal mixtures: the role of nonadditivity

Articolo

Thermodynamic versus Conformational Metastability in Fibril-Forming Lysozyme Solutions

Articolo

Thermodynamics, structure, and dynamics in room temperature ionic liquids: the case of 1-butyl-3-methyl imidazolium hexafluorophosphate ([bmim][PF6])

Articolo

Thioflavin T hydroxylation at basic pH and its effect on amyloid fibril detection.

Articolo

Three Weaknesses for Three Perturbations: Comparing Protein Unfolding under Shear, Force, and Thermal Stresses

Articolo

Time-Resolved Fluorescence Studies of Fullerene Derivatives

Articolo

Time-Resolved Fourier Transform Infrared Spectroscopy, Gravimetry, and Thermodynamic Modeling for a Molecular Level Description of Water Sorption in Poly(epsilon-caprolactone)

Articolo

Toward the Elucidation of the Competing Role of Evaporation and Thermal Decomposition in Ionic Liquids: A Multitechnique Study of the Vaporization Behavior of 1-Butyl-3-methylimidazolium Hexafluorophosphate under Effusion Conditions

Articolo

Toward the supramolecular structure of collagen: A molecular dynamics approach

Articolo

Towards the Supramolecular Structure of Collagen: a Molecular Dynamics Approach

Articolo

Trapping Dynamics in Photosystem I-Light Harvesting Complex I of Higher Plants Is Governed by the Competition Between Excited State Diffusion from Low Energy States and Photochemical Charge Separation.

Articolo

Tuning the Morphology of Nanostructured Peptide Films by Introduction of a Secondary Structure Conformational Constraint: A Case-Study of Hierarchical Self-Assembly

Articolo

Two-dimensional chiral single domain by D-alaninol functionalization of Cu(100)

Articolo

Ultra high vacuum deposition of L-Cysteine on Au(110) studied by high resolution X-Ray Photoemission: from early stages of adsorption to molecular organization

Articolo

Ultrafast energy transfer and excited state coupling in an artificial photosynthetic antenna

Articolo

Ultrafast pump-probe study of excited-state charge-transfer dynamics in umecyanin from horseradish root

Articolo

Ultralow amplified spontaneous emission threshold employing an ambipolar semiconducting host matrix

Articolo

Uncharged Water-Soluble Co(II)-Porphyrin: A Receptor for Aromatic alfa-Amino Acids

Articolo

Uncharged Water-Soluble Co(II)-Porphyrin: A Receptor for Aromatic alpha-Amino Acids

Articolo

Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides.

Articolo

Understanding cage effects in Imidazolium ionic liquids by 129XE NMR: MD simulations and relativistic DFT calculations

Articolo

Understanding the Structural and Binding Properties of Collagen: A Theoretical Perspective

Articolo

Understanding the structural and binding properties of collagen: A theoretical perspective

Articolo

Unravelling the structure of protic ionic liquids with theoretical and experimental methods: Ethyl-, propyl- and butylammonium nitrate explored by Raman spectroscopy and DFT calculations

Articolo

Untemplated Nonenzymatic Polymerization of 3 ',5 ' cGMP: A Plausible Route to 3 ',5 '-Linked Oligonucleotides in Primordia

Articolo

Unveiling the Influence of Hydrated Deep Eutectic Solvents on the Dynamics of Water-Soluble Proteins

Articolo

Unveiling the role of histidine and tyrosine residues on the conformation of the avian prion hexarepeat domain

Articolo

Vacancy-induced chemisorption of NO2 on carbon nanotubes: A combined theoretical and experimental study

Articolo

Valence tautomerism in Co-dioxolene complexes: Static and time-resolved infrared spectroscopy study

Articolo

Vibrational Collective Dynamics of Dry Proteins in the Terahertz Region

Articolo

Vibrational Studies and Properties of Hybrid Inorganic-Organic Proton Conducting Membranes Based on Nafion and Hafnium Oxide Nanoparticles

Articolo

Vibrational energy transport in peptide helices after excitation of C-D modes in Leu-d10

Articolo

Vibronically resolved electronic circular dichroism spectra of R-(+)-3-methyl-cyclopentanone: A theoretical study

Articolo

Virial coefficient and demixing of athermal non additive mixtures

Articolo

Virial coefficients and demixing of athermal nonadditive mixtures

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Water droplets as template for next generation self-assembled poly-(etheretherketone) with Cardo membranes

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Water effects on electron transfer in azurin dimers

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Water vapor absorption in porous media polluted by calcium nitrate studied by time domain nuclear magnetic resonance

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Water-mediated electron transfer between protein redox centers

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Xenon Dynamics in Ionic Liquids: A Combined NMR and MD Simulation Study

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ZEOLITE CHEMISTRY OF CuZSM-5 REVISITED

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ZnO nanocrystals by a non-hydrolytic route: synthesis and characterization

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alpha,alpha-Trehalose water solutions. VII. An elastic incoherent neutron scattering study on fragility

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alpha,alpha-Trehalose-Water solutions: II. Influence of Hydrogen Bond Connectivity on Transport properties

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alpha-Casein Inhibition Mechanism in Concanavalin A Aggregation Process

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alpha-cyclodextrin functionalized CdS nanocrystals for fabrication of 2/3 D assemblies

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beta-Amyloid Amorphous Aggregates Induced by the Small Natural Molecule Ferulic Acid

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pH-Dependent X-ray Photoelectron Chemical Shifts and Surface Distribution of Cysteine in Aqueous Solution

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No Results Found