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

Journal
Identifier:
E185404
ISSN:
1520-6106
  • Overview

Overview

Outputs (541)

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3-methylthiophene self-assembled monolayers on planar and nanoparticle Au surfaces
Academic Article
A 1H and 13C Solid State NMR Investigation of the Structure and Molecular Dynamics of Hydrogenated Oligocyclopentadiene
Academic Article
A Bias-Exchange Approach to Protein Folding
Academic Article
A Combined Theoretical and Experimental Study of Solid Octyl and Decylammonium Chlorides and of Their Aqueous Solutions
Academic Article
A Criterion for Anomalous Melting in Systems with Isotropic Interactions
Academic Article
A Fourier transform infrared (FTIR) study of the reaction of triethoxysilane (TES) and bis[3-triethoxysilylpropyl]tetrasulfane (TESPT) with the surface of amorphous silica
Academic Article
A Mean Field Analysis of the O-H Stretching Raman Spectra in Methanol/Carbon Tetrachloride Mixtures
Academic Article
A Proton NMR Relaxation study of C12E6/D2O
Academic Article
A Quasielastic Neutron Scattering Investigation on the Molecular Self-Dynamics of Human Myelin Protein P2
Academic Article
A Simulation Study on OH-Containing Polyimide (HPI) and Thermally Rearranged Polybenzoxazoles (TR-PBO): Relationship between Gas Transport Properties and Free Volume Morphology
Academic Article
A Statistical Model for Translocation of Structured Polypeptide Chains through Nanopores
Academic Article
A TDDFT study of the excited states of DNA bases and their assemblies
Academic Article
A comparative Theoretical Investigation of Three Sodalite Systems: Cd4S(alo2)6, Zn4O(BO2)6, and Zn4S(BO2)6
Academic Article
A comparative study of CO chemisorption on Al2O3 and Ti2O3 nonpolar surfaces
Academic Article
A mean field analysis of the O-H stretching Raman spectra in methanol/carbon tetrachloride mixtures
Academic Article
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
Academic Article
Ab Initio Prediction of the Emission Color in Phosphorescent Iridium(III) Complexes for OLEDs
Academic Article
Ab initio Study of the Structural, Tautomeric, Pairing and Electronic Properties of Seleno-Derivatives of Thymine
Academic Article
Ab initio molecular dynamics of heme in cytochrome c
Academic Article
Ab-initio study of chemisorption reactions for carboxylic acids on hydrogenated silicon surfaces
Academic Article
Accurate Steady-State and Zero-Time Fluorescence Spectra of Large Molecules in Solution by a First-Principle Computational Method
Academic Article
Adsorption of Amino Acids and Peptides on Metal and Oxide Surfaces in Water Environment: A Synthetic and Prospective Review
Academic Article
Adsorption properties of C10E8 at the water-hexane interface
Academic Article
Aggregation Behavior of Octyl Viologen Di[bis(trifluoromethanesulfonyl)amide] in Nonpolar Solvents
Academic Article
Aggregation Behavior of Tetrakis(4-sulfonatophenyl)porphyrin in AOT/Water/Decane Microemulsions
Academic Article
Aggregation in Colloidal Suspensions: Evaluation of the Role of Hydrodynamic Interactions by Means of Numerical Simulations
Academic Article
Aggregation phenomena in aqueous solutions of uncharged star polymer with a porphyrin core
Academic Article
Aggregation properties of hyperporphyrins with hydroxyphenyl substituents
Academic Article
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
Academic Article
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.
Academic Article
Alkylimidazolium Based Ionic Liquids: Impact of Cation Symmetry on their Nanoscale Structural Organization
Academic Article
All-atom folding simulations of the Villin headpiece from stochastically-selected coarse-grained structures
Academic Article
Alpha, alpha-trehalose-water solutions VI. A view of the structural and dynamical properties of O beta G micelles in the presence of trehalose
Academic Article
Alteration of the H-bond to the A(1A) phylloquinone in Photosystem I: influence on the kinetics and energetics of electron transfer
Academic Article
Amino Acid Anions in Organic Ionic Compounds. An ab Initio Study of Selected Ion Pairs
Academic Article
Amphillic cyclodextrin carriers embedding porphyrins: charge and size modulation of colloidal stability in heterotopic aggregates
Academic Article
Amphiphilic Cyclodextrin Carriers Embedding Porphyrins: Charge and Size Modulation of Colloidal Stability in Heterotopic Aggregates
Academic Article
Amyloid beta Dodecamer Disrupts the Neuronal Membrane More Strongly than the Mature Fibril: Understanding the Role of Oligomers in Neurotoxicity
Academic Article
Amyloid beta-Peptide Interaction with Membranes: Can Chaperones Change the Fate?
Academic Article
Anions as Dynamic Probes for Ionic Liquid Mixtures
Academic Article
Anodic Si Dissolution in Acidic Fluoride Electrolyte. A Probe Beam Deflection Investigation
Academic Article
Anomalous Hardening Behavior of a Calcium Phosphate Bone Cement
Academic Article
Anomalous diffusion and cage effects in the isotropic phase of a liquid crystal
Academic Article
Anthramycin-DNA binding explored by molecular simulations
Academic Article
Antibiotic Permeation across the OmpF Channel: Modulation of the Affinity Site in the Presence of Magnesium
Academic Article
Aqueous Solvation of Methane from First Principles
Academic Article
Are there immobilized water molecules around hydrophobic groups ? Aqueous solvation of methanol from first principles
Academic Article
Assembly kinetics in binary mixtures of strongly attractive colloids
Academic Article
Assessing the accuracy of metadynamics
Academic Article
Atomistic Simulations of P(NDI2OD-T2) Morphologies: From Single Chain to Condensed Phases
Academic Article
Atomistic computer simulation and experimental study on the dynamics of the n-cyanobiphenyls mesogenic series
Academic Article
Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations
Academic Article
Attraction between Like-Charged Polyelectrolytes in the Extended Condensation Theory.
Academic Article
Au nanoparticles prepared by physical method on Si and sapphire substrates for biosensor applications
Academic Article
Azole-bridged diplatinum anticancer compounds. Modulating DNA flexibility to escape repair mechanism and avoid cross resistance
Academic Article
Beta-Amyloid Amorphous Aggregates Induced by the Small Natural Molecule Ferulic Acid
Academic Article
Better chemistry through ceramics: the physical bases of the outstanding chemistry of ormosil
Academic Article
Binding of Ubiquinone to Photosynthetic Reaction Center: Determination of Enthalpy and Entropy Changes in Reverse Micelles.
Academic Article
Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: Insights from hybrid QM/MM molecular dynamics simulations
Academic Article
Binding of ubiquinone to photosynthetic reaction centers. 2: Determination of enthalpy and entropy changes for the binding to the QA site in reverse micelles.
Academic Article
Bonding of Histidine to Cerium Oxide
Academic Article
Boron-Doped, Nitrogen-Doped, and Codoped Graphene on Cu(111): A DFT + vdW Study
Academic Article
Brillouin Scattering Evidence of Nonideal Mixing in Methanol/CCl4 Mixtures
Academic Article
Broadband Terahertz Spectroscopy of Imidazolium-Based Ionic Liquids
Academic Article
C+C2H2: A key reaction in interstellar chemistry.
Academic Article
Calcium Copper-Titanate Thin Film Growth: Tailoring of the Operational Conditions through Nanocharacterization and Substrate Nature Effects
Academic Article
Calorimetric relaxation in pharmaceutical molecular glasses and its utility in understanding their stability against crystallization
Academic Article
Carbon Monoxide Recombination Dynamics in Truncated Hemoglobins Studied with Visible-Pump MidIR-Probe Spectroscopy
Academic Article
Cathodoluminescence investigation of residual stress in Er3+: YAlO3 thin films grown on (110) SrTiO3 substrate by metal-organic chemical vapor deposition
Academic Article
Changing the Dissociative Character of the Lowest Excited State of Ethanol by Pressure
Academic Article
Characteristics and Performance of a Universal Membrane Suitable for Gas Separation, Pervaporation, and Nanofiltration Applications
Academic Article
Characterization of carbon nanotubes by TEM and infrared spectroscopy
Academic Article
Characterization of supramolecular Polyphenol-Chromium(III) Clusters by Molecular Dynamics Simulations
Academic Article
Characterization of the dizinc analogue of the synthetic diiron protein DF1 using ab initio and hybrid quantum/classical molecular dynamics simulations
Academic Article
Characterization of the local structures of Ti-MCM-41 and their photocatalytic reactivity for the decomposition of NO into N(2) and O(2)
Academic Article
Characterization of the zirconia-supported tungsten oxide system by laser Raman and diffuse reflectance spectroscopies
Academic Article
Charge Separation and Intersystem Crossing in Homo- and Hetero-Compact Naphthalimide Dimers
Academic Article
Charge renormalization in planar and spherical charged lipidic aqueous interfaces
Academic Article
Chemical Short-Range Order in Selenide and Telluride Glasses
Academic Article
Chlorophyll a behavior in aqueous solvents: formation of nanoscale self-assembled complexes
Academic Article
Circular Dichroism and Optical Rotation of Lactamide and 2-Aminopropanol in Aqueous Solution
Academic Article
Cis-trans photoisomerization of fluorescent-protein chromophores
Academic Article
Cluster phases of decorated micellar solutions with macrocyclic ligands
Academic Article
Cluster-Driven Dynamical Arrest in Concentrated Lysozyme Solutions
Academic Article
Clusters in Colloidal Systems
Academic Article
Cold-Adaptation Signatures in the Ligand Rebinding Kinetics to the Truncated Hemoglobin of the Antarctic Bacterium Pseudoalteromonas haloplanktis TAC125
Academic Article
Colloidal TiO2 Nanocrystals/MEH-PPV Nanocomposites: Photo(electro)chemical Study
Academic Article
Colloidal TiO2 nanocrystals/MEH-PPV nanocomposites: Photo(electro)chemical study
Academic Article
Combination of transient 2D-IR experiments and AB initio computations sheds light on the formation of the charge-transfer state in photoexcited carbonyl carotenoids
Academic Article
Combined EPR and Molecular Modeling Study of PPI Dendrimers Interacting with Copper Ions: Effect of Generation and Maltose Decoration.
Academic Article
Combined Emulsion and Phase Inversion Techniques for the Preparation of Catalytic PVDF Microcapsules
Academic Article
Combined computational and experimental investigation on the nature of hydrated iodoplumbate complexes: Insights into the dual role of water in perovskite precursor solutions
Academic Article
Combining Theory and Experiment to Study the Photooxidation of Polyethylene and Polypropylene
Academic Article
Combining theory and experiment to study the photooxidation of polyethylene and polypropylene
Academic Article
Comment on "effect of chromium substitution on the lattice vibration of spinel lithium manganate: A new interpretation of the Raman spectrum of LiMn2O4"
Academic Article
Competitive Hydrogen-Bonding Interactions in Modified Polymer Membranes: A Density Functional Theory Investigation
Academic Article
Complex Permittivity of Ionic Liquid Mixtures Investigated by Terahertz Time-Domain Spectroscopy
Academic Article
Computational Insight into the Interaction of Cytochrome C with Wet and PVP-Coated Ag Surfaces
Academic Article
Computational Study of the One- and Two-Photon Absorption and Circular Dichroism of (L)-Tryptophan
Academic Article
Computational challenges in simulating and analyzing experimental linear and nonlinear circular dichroism spectra. R-(+)-1,1 -bi(2-naphtol) as a prototype case
Academic Article
Computational study on compound I redoz-active species in horseradish peroxydase enzyme: conformational fluctuations and solvation effects
Academic Article
Computing the NMR spectrum of a bulk ionic liquid phase by QM/MM methods
Academic Article
Conformation and orientation of tetraalanine in a lyotropic liquid crystal studied by nuclear magnetic resonance
Academic Article
Conformational Analysis of Gly Ala NHMe in D20 and DMSO Solutions: A Two-Dimensional Infrared Spectroscopy Study
Academic Article
Conformational Self-Recognition as the Origin of Dewetting in Bistable Molecular Surfaces
Academic Article
Conformations of Phenylalanine in the Tripeptides AFA and GFG Probed by Combining MD Simulations with NMR, FTIR, Polarized Raman, and VCD Spectroscopy
Academic Article
Connecting Irreversible to Reversible Aggregation: Time and Temperature
Academic Article
Control of Structural, Electronic, and Optical Properties of Eumelanin Films by Electrospray Deposition
Academic Article
Control of the Structural Stability of alpha-Crystallin under Thermal and Chemical Stress: The Role of Carnosine
Academic Article
Coordination and haptotropic rearrangement of Cr(CO)3 on (n,0) nanotube sidewalls: a dynamical density functional study
Academic Article
Coordination and haptotropic rearrangement of Cr(CO)3 on (n,0) nanotube sidewalls: a dynamical density functional study
Academic Article
Copper Binding Induces Polymorphism in Amyloid-? Peptide: Results of Computational Models
Academic Article
Copper-1,10-Phenanthroline Complexes Binding to DNA: Structural Predictions from Molecular Simulations
Academic Article
Copper-Phthalocyanine Induced Reconstruction of Au(110)
Academic Article
Correlation between Dielectric/Organic Interface Properties and Key Electrical Parameters in PPV-based OFETs
Academic Article
Correlation between Dielectric/Organic Interface Properties and Key Electrical Parameters in PPV-based OFETs
Academic Article
Correlation between dielectric/organic interface properties and key electrical parameters in PPV-based OFETs
Academic Article
Counteranion dependent protonation and aggregation of tetrakis(4-sulfonatophenyl)porphyrin in organic solvents
Academic Article
Coupling between hydrogen atoms transfer and stacking interaction in adenine-thymine/guanine-cytosine complexes: A theoretical study
Academic Article
Coupling of Caged Molecule Dynamics to JG beta-Relaxation III: Van der Waals Glasses
Academic Article
Critical Issues of Current Research on the Dynamics Leading to Glass Transition
Academic Article
Crystal Polymorphism of Hexylammonium Chloride and Structural Properties of Its Mixtures with Water
Academic Article
Crystallization Kinetics of Ultraviscous Acetaminophen by Heat Capacity and Enthalpy Measurements and Diffusion Control
Academic Article
D-Alaninol Adsorption on Cu(100): Photoelectron Spectroscopy and First-Principles Calculations.
Academic Article
D-alaninol adsorption on Cu(100): Photoelectron spectroscopy and first-principles calculations
Academic Article
DOSY-NMR and Raman Investigations on the Self-Aggregation and Cyclodextrin Complexation of Vanillin
Academic Article
Daptomycin Strongly Affects the Phase Behavior of Model Lipid Bilayers
Academic Article
Deconstructing Electrostatics of Functionalized Metal Nanoparticles from Molecular Dynamics Simulations
Academic Article
Delocalized Hole Domains in Guanine-Rich DNA Oligonucleotides
Academic Article
Density functional theory study of formic acid adsorption on anatase TiO2(001): Geometries, energetics, and effects of coverage, hydration, and reconstruction
Academic Article
Dependence of copper species on the nature of the support for dispersed CuO catalysts
Academic Article
Determination of Parameters Affecting Transport in Polymeric Membranes: Parallels between Pervaporation and Nanofiltration
Academic Article
Determination of minority carrier diffusion length in silicon wafers by a dual electrolyte cell
Academic Article
Deuterium and carbon-13 NMR study of a banana mesogen: Molecular structure and order
Academic Article
Dichroic properties of bis(benzoxazolyl)stilbene and bis(benzoxazolyl)thiophene dispersed into oriented polyethylene films: A combined experimental and density functional theory approach
Academic Article
Different spectral signatures of octapeptide 3(10) and alpha-helices revealed by two-dimensional infrared spectroscopy
Academic Article
Diffusion-limited unbinding of small peptides from PDZ domains
Academic Article
Diffusive dynamics of water in the presence of homologous disaccharides: a comparative study by Quasi Elastic Neutron Scattering.IV.
Academic Article
Dimerization and polymerization of isoprene at high pressures
Academic Article
Direct Evidence for Excitation Energy Transfer Limitations Imposed by Low-Energy Chlorophylls in Photosystem I-Light Harvesting Complex i of Land Plants
Academic Article
Direct investigation of orbital ordering in a colossal magnetoresistance manganite by means of X-ray linear dichroism at the Mn L edge
Academic Article
Direct investigation of orbital ordering in a colossal magnetoresistance manganite by means of X-ray linear dichroism at the Mn L edge
Academic Article
Distribution and Dynamic Properties of Xenon Dissolved in the Ionic Smectic Phase of [C(16)mim][NO3]: MD Simulation and Theoretical Model
Academic Article
Doping dependence of the electronic structure of La1-xNaxMnO3 by resonant X-ray emission and X-ray absorption spectroscopy
Academic Article
Dual Fluorescence through Kasha's Rule Breaking: An Unconventional Photomechanism for Intracellular Probe Design
Academic Article
Dynamic Surface Properties of Mixed Dispersions of Silica Nanoparticles and Lysozyme
Academic Article
Dynamic elasticity of adsorption layers in the presence of internal reorientation processes
Academic Article
Dynamical Behavior Near a Liquid-Liquid Phase Transition in Simulations of Supercooled Water
Academic Article
Dynamical Crossover in Hot Dense Water: The Hydrogen Bond Role
Academic Article
Dynamical transition in a small helical peptide and its implication for vibrational energy transport
Academic Article
Dynamically correlated regions and configurational entropy in supercooled liquids
Academic Article
Dynamics and Binding Affinity of Spin-Labeled Stearic Acids in beta-Lactoglobulin: Evidences from EPR Spectroscopy and Molecular Dynamics Simulation
Academic Article
Dynamics of Biological Water: Insights from Molecular Modeling of Light Scattering in Aqueous Trehalose Solutions
Academic Article
Dynamics of Dimethylbutanols in Plastic Crystalline Phases by Field Cycling 1H NMR Relaxometry
Academic Article
Dynamics of Ethylene-Propylene Random Copolymers by 1H and 13C Solid-State NMR
Academic Article
Dynamics of Polymer Chains in Poly(ethylene oxide)/Silica Nanocomposites via a Combined Computational and Experimental Approach
Academic Article
Dynamics of an amorphous polymer by an improved NMR approach based on the simultaneous analysis of 1H and 13C relaxation times
Academic Article
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
Academic Article
Effect of C5-Methylation of Cytosine on the UV-Induced Reactivity of Duplex DNA: Conformational and Electronic Factors
Academic Article
Effect of Cation Symmetry and Alkyl Chain Length on the Structure and Intermolecular Dynamics of 1,3-Dialkylimidazolium Bis(trifluoromethanesulfonyl)amide Ionic Liquids.
Academic Article
Effect of Cation Symmetry on the Morphology and Physicochemical Properties of Imidazolium Ionic Liquids
Academic Article
Effect of Electric Field Orientation on the Mechanical and Electrical Properties of Water Ices: An Ab-initio Study.
Academic Article
Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation
Academic Article
Effect of Methylation on the Properties of the H-Bridges in DNA. A Systematic Theoretical Study on the Couples of Base Pairs
Academic Article
Effect of Nanoparticles on the Interfacial Properties of Liquid-Liquid and Liquid-Air Surface Layers
Academic Article
Effect of SiO2 on Relaxation Phenomena and Mechanism of Ion Conductivity of [NafionTM117/(SiO2)x] Composite Membranes
Academic Article
Effect of aging the glass of isotactic polybutene-1 on Form II nucleation and cold-crystallization
Academic Article
Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study
Academic Article
Effect of the chain length on the structure of ionic liquids: from spatial heterogeneity to ionic liquid crystals.
Academic Article
Effects of Magnetic Field Cycle on the Polarization Transfer from Parahydrogen to Heteronuclei through Long-Range J-Couplings
Academic Article
Effects of Polar Head Nature and Tail Length of Single-Chain Lipids on the Conformational Stability of beta-Lactoglobulin
Academic Article
Effects of sugars and polyols on the stability of azurin in ice.
Academic Article
Effects of surface chemical composition on the early growth stages of alpha-sexithienyl films on silicon oxide substrates
Academic Article
Electrochemical and spectroscopic behavior of Iron(III) porphyrazines in Langmuir-Schäfer films
Academic Article
Electrodissolution and passivation of silicon in aqueous alkaline media: A voltammetric and impedance investigation
Academic Article
Electron Transport Properties of Diarylethene Photoswitches by a Simplified NEGF-DFT Approach
Academic Article
Electron channels in biomolecular nanowires
Academic Article
Electron paramagnetic resonance spectroscopy of iron (III)-doped MF1 zeolite. 1. Multifrequency CW-EPR
Academic Article
Electron paramagnetic resonance, scanning electron microscopy with energy dispersion X-ray spectrometry, X-ray powder diffraction, and NMR characterization of iron-rich fired clays
Academic Article
Electron transfer between quinones in photosynthetic reaction centers
Academic Article
Electron transfer between quinones in photosynthetic reaction centers
Academic Article
Electronic and Magnetic Properties of Ni Nanoparticles Embedded in Various Organic Semiconductor Matrices
Academic Article
Electronic and atomistic structures of clean and reduced ceria surfaces
Academic Article
Electronic and structural shell closure in AgCu and AuCu nanoclusters
Academic Article
Element-specific probe of the magnetic and electronic properties of Dy incar-fullerenes
Academic Article
Emergence of Barrel Motif in Amyloid-beta Trimer: A Computational Study
Academic Article
Energetics of Protein Nucleation on Rough Polymeric Surfaces
Academic Article
Energy Dispersive X-ray Reflectometry of the NO2 Interaction with Ruthenium Phthalocyanine Films
Academic Article
Energy Transport in Peptide Helices: A Comparison between High- and Low-Energy Excitations
Academic Article
Entropy and Fluid-Fluid Separation in Nonadditive Hard-Sphere Mixtures
Academic Article
Entropy and correlations in a fluid of hard spherocylinders:The onset of nematic and smectic order
Academic Article
Entropy and fluid-fluid separation in nonadditive hard-sphere mixtures: The asymmetric case
Academic Article
Evidence for anomalous hydration dynamics near a model hydrophobic peptide
Academic Article
Evidence of Coexistence of Change of Caged Dynamics at Tg and the Dynamic Transition at Td in Solvated Proteins
Academic Article
Evidence of Dynamical Constraints Imposed by Water Organization around a Bio-Hydrophobic Interface
Academic Article
Evidence of Heterogeneous Aggregation in Methanol/CCl4 Mixtures: A Brillouin Scattering
Academic Article
Evidence of catalase mimetic activity in Ce3+/Ce4+ doped bioactive glasses
Academic Article
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
Academic Article
Excess Thermodynamic Properties in Mixtures of a Representative Room-Temperature Ionic Liquid and Acetonitrile
Academic Article
Excitation energy transfer in the photosystem II core antenna complex CP43 studied by femtosecond visible/visible and visible/mid-infrared pump probe spectroscopy
Academic Article
Existence of metastable intermediate lysozyme conformation highlights the role of alcohols in altering protein stability
Academic Article
Experimental Evidence of Single-Stranded DNA Adsorption on Multiwalled Carbon Nanotubes
Academic Article
FUNCTIONALITY OF PHOTOSYNTHETIC REACTION CENTERS IN POLYELECTROLYTE MULTILAYERS: TOWARDS AN HERBICIDE BIOSENSOR
Academic Article
Factors governing the conformational tendencies of C-alpha-ethylated alpha-amino acids: chirality and side-chain size effects
Academic Article
Fast H-vacancy dynamics during alanate decomposition by anelastic spectroscopy. Proposition of a model for Ti-enhanced hydrogen transport
Academic Article
Femtosecond Differential Transmission Spectroscopy of a-Sexithienyl Thin Film at Low Temperature
Academic Article
First Principles Effective Electronic Couplings for Hole Transfer in Natural and Size-Expanded DNA
Academic Article
First principles studies of vanadia-titania monolayer catalysts: Mechanisms of NO selective reduction
Academic Article
Fluorescence quenching of buried Trp residues by acrylamide does not require penetration of the protein fold.
Academic Article
Free energy profile for CO binding to separated chains of human and Trematomus newnesi hemoglobin: insights from MD simulations and Perturbed Matrix Method
Academic Article
Free energy profile for CO binding to separated chains of human and Trematomus newnesi hemoglobin: insights from MD simulations and perturbated matrix method
Academic Article
From Fractal to Nanorod Porphyrin J-Aggregates. Concentration-Induced Tuning of the Aggregate Size
Academic Article
Fullerene-like III-V clusters: A density functional theory prediction
Academic Article
Fully Atomistic Multiscale Approach for pK(a) Prediction
Academic Article
Fully Atomistic Simulations of the Ionic Liquid Crystal [C(16)mim][NO3]: Orientational Order Parameters and Voids Distribution
Academic Article
Gaining an Insight into the Photoreactivity of a Drug in a Protein Environment: A Case Study on Nalidixic Acid and Serum Albumin
Academic Article
Glassy and polymer dynamics of elastomers by 1H-field-cycling nmr relaxometry: Effects of fillers
Academic Article
Grafting derivatives of Mn-6 single-molecule magnets with high anisotropy energy barrier on Au(111) surface
Academic Article
Growth of NiO on Ag(001): Atomic environment, strain, and interface relaxations studied by polarization dependent extended X-ray absorption fine structure
Academic Article
Hierarchical Effect behind the Supramolecular Chirality of Silver(I)-Cysteine Coordination Polymers
Academic Article
High-Pressure Reactivity of L,L-Lactide
Academic Article
High-Pressure Reactivity of Model Hydrocarbons Driven by Near-UV Photodissociation of Water
Academic Article
High-Resolution In-Situ Structural Measurements of the Li4/3Ti5/3O4 "Zero-Strain" Insertion Material
Academic Article
How conformational flexibility stabilizes the hyperthermophilic elongation factor G-domain
Academic Article
Hybrid junctions of Zn(II) and Mg(II) phthalocyanine with wide band gap semiconductor nano-oxides: spectroscopical and photoelectrochemical characterization
Academic Article
Hybrid niosome complexation in the presence of oppositely charged polyions
Academic Article
Hybridization of Genomic DNA Adsorbed Electrostatically onto Cationic Surfaces
Academic Article
Hydration Shell of Antifreeze Proteins: Unveiling the Role of Non-Ice-Binding Surfaces
Academic Article
Hydration and Aggregation in Mono- and Disaccharide Aqueous Solutions by Gigahertz-to-Terahertz Light Scattering and Molecular Dynamics Simulations
Academic Article
Hydrogen Bonding Features in Cholinium-Based Protic Ionic Liquids from Molecular Dynamics Simulations
Academic Article
Hydrophobic Hydration in Water- tert -Butyl Alcohol Solutions by Extended Depolarized Light Scattering
Academic Article
Identification of Domains in Protein Structures from the Analysis of Intramolecular Interactions
Academic Article
Identifying, By First-Principles Simulations, Cu[Amyloid-beta] Species Making Fenton-Type Reactions in Alzheimer's Disease
Academic Article
Impact of the Stereochemical Structure on the Thermal Phase Behaviour of a Cationic Gemini Surfactant
Academic Article
Implications of Anion Structure on Physicochemical Properties of DBU-Based Protic Ionic Liquids
Academic Article
In Silico Interpretation of cw-ESR at 9 and 95 GHz of Mono- and bis- TOAC-Labeled Aib-Homopeptides in Fluid and Frozen Acetonitrile
Academic Article
In Situ Energy Dispersive X-ray Diffraction Study of LiNi0.8Co0.2O2 Cathode Material for Lithium Batteries
Academic Article
In situ and frontal polymerization for the consolidation of porous stones: an unilateral NMR and a Magnetic Resonance Imaging study
Academic Article
Influence of Denaturants on Native-State Structural Fluctuations in Azurin Probed by Molecular Size-Dependent Quenching of Trp Phosphorescence
Academic Article
Influence of Dimethyl Sulfoxide on the Low-Temperature Behavior of Cholesterol-Loaded Palmitoyl-oleyl-phosphatidylcholine Membranes
Academic Article
Influence of cardiolipin on the functionality of the QA site of the photosynthetic bacterial reaction center
Academic Article
Influence of cellulosic additives on tricalcium silicate hydration: nuclear magnetic resonance relaxation time analysis
Academic Article
Influence of the Structural Properties of Poly(vinylidene fluoride) Membranes on the Heterogeneous Nucleation Rate of Protein Crystals
Academic Article
Influence of the silane modifiers on the surface thermodynamic characteristics and dispersion of the silica into elastomer compounds
Academic Article
Inhibition by CO and polarization in Pd-based membranes: a novel permeance reduction coefficient
Academic Article
Initial oxidation of a Rh(110) surface using atomic or molecular oxygen and reduction of the surface oxide by hydrogen
Academic Article
Inside New Materials: An Experimental Numerical Approach for the Structural Elucidation of Nanoporous Cross-Linked Polymers
Academic Article
Insights into the Thermally Activated Cyclization Mechanism in a Linear Phenylalanine-Alanine Dipeptide
Academic Article
Insights on the isotropic-to-Smectic a transition in ionic liquid crystals from coarse-grained molecular dynamics simulations: The role of microphase segregation
Academic Article
Inter- And Intramolecular Interactions in Ether-Functionalized Ionic Liquids
Academic Article
Interaction between As(III) and Simple Thioacids in Water: An Experimental and ab Initio Molecular Dynamics Investigation
Academic Article
Interaction of Caffeine with Model Lipid Membranes
Academic Article
Interaction of NO with nanosized Ru-, Pd-, and Pt-doped SnO2: Electron paramagnetic resonance, Mössbauer, and electrical investigation
Academic Article
Interaction of azole compounds with DOPC and DOPC/Ergosterol bilayers by spin probe EPR spectroscopy: implications for antifungal activity
Academic Article
Interaction of hydrogen with cerium oxide surfaces: A quantum mechanical computational study
Academic Article
Interdependence of primary and Johari-Goldstein secondary relaxations in glass-forming systems
Academic Article
Interfacial electrostatics of self-assembled monolayers of alkane thiolates on Au(111): Work function modification and molecular level alignments
Academic Article
Interfacial water structure controls protein conformation
Academic Article
Intrinsic and Extrinsic Paramagnetic Centers in Zirconia
Academic Article
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
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Is It Possible to Extend the Coleman-Fox Method for Polymer Sequence Determination by NMR to Copolycondensates?
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Is the G-Quadruplex an Effective Nanoconductor for Ions?
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Iso-Oriented Lyotropic Lamellar Phase in the C12E6/D2O System
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Isotopic Effect on the Gel and Glass Formation of a Charged Colloidal Clay: Laponite
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K-stabilized high-oxygen-coverage states on Rh(110): A low-pressure pathway to formation of surface oxide
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Kinetics and thermodynamics of sucrose hydrolysis from real-time enthalpy and heat capacity measurements.
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Laser control of desorption through selective surface excitation
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Liquid Structure of 1-Ethyl-3-methylimidazolium Alkyl Sulfates by X-ray Scattering and Molecular Dynamics
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Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study
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Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study
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Liquid Structure of a Water-in-Salt Electrolyte with a Remarkably Asymmetric Anion
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Long-Lived Charge-Separated State in Naphthalimide-Phenothiazine Compact Electron Donor-Acceptor Dyads: Effect of Molecular Conformation Restriction and Solvent Polarity
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Long-Lived Photoinduced Charges in Donor-Acceptor Anthraquinone-Substituted Thiophene Copolymers.
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Low-Energy Vibrational Dynamics of Cesium Borate Glasses
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Machine Learning of Allosteric Effects: The Analysis of Ligand-Induced Dynamics to Predict Functional Effects in TRAP1
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Melting of DNA Nonoriented Fibers: A Wide-Angle X-ray Diffraction Study
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Membrane Interactions and Conformational Preferences of Human and Avian Prion N-terminal tandem repeats: the role of copper(II) ions, pH, and membrane mimicking
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Mid-Range Structure of Niobium-Sodium-Phosphate Electro-Optic Glasses
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Molecular Recognition Through H-Bonding in Micelles Formed by Dioctylphosphatidyl Nucleosides
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Molecular packing effects on the optical spectra and triplet dynamics in oligofluorene films
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Nanoscale disassembly and free radical reorganization of polydopamine in ionic liquids
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Nature of Mesoscopic Organization in Protic Ionic Liquid-Alcohol Mixtures
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Networking Properties of Cyclodextrin-Based Cross-Linked Polymers Probed by Inelastic Light-Scattering Experiments
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New Evidence About the Spontaneous Symmetry Breaking: Action of an Asymmetric Weak Heat Source
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New insight into protein-ligand interactions. the case of the d-galactose/ d-glucose-binding protein from escherichia coli
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Optimization of Tailoring of CuOx Species of Silica Alumina Supported Catalysts for the Selective Catalytic Reduction of NOx
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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
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Reaction of Hydrated Electrons with Guanine Derivatives: Tautomerism of Intermediate Species
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Reply to "Comment on 'Behavior of Supercritical Fluids across the Frenkel Line'"
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Sieverts law empirical exponent for Pd-based membranes: critical analysis in pure H2 permeation
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Thermodynamic versus Conformational Metastability in Fibril-Forming Lysozyme Solutions
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