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CHEMPHYSCHEM (PRINT)
Rivista
Codice:
E035290
ISSN:
1439-4235
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Dati Generali
Pubblicazioni (133)
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"Through-Space" Relativistic Effects on NMR Chemical Shifts of Pyridinium Halide Ionic Liquids
Articolo
A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a
Articolo
A New Heptanuclear Dendritic Ruthenium(ii) Complex Featuring Photoinduced Energy
Articolo
A Parameter Free Quantum Mechanical Approach to the Calculation of Electron Transfer Rates for Large Systems in Solution
Articolo
A Quantitative View of Charge Transfer in the Hydrogen Bond: The Water Dimer Case
Articolo
A combined atomic force microscopy and molecular dynamics simulation study on a plastocyanin mutant chemisorbed on a gold surface
Articolo
Ab initio molecular dynamics study of the keto-enol tautomerism of acetone in solution
Articolo
Ab-initio study of the magneto-optical rotation of diastereoisomers
Articolo
Absorption spectrum of A-T DNA unraveled by quantum mechanical calculations in solution on the (dA)2×(dT)2 tetramer.
Articolo
Addressing Charge-Transfer and Locally-Excited States in a Twisted Biphenyl Push-Pull Chromophore
Articolo
Adducts of xenon with organic molecules: Rotational spectrum of dimethyl ether-Xe
Articolo
Alignement of extremely long single polymer chains exploiting hydrodynamic flow
Articolo
Alternative Low-Energy Mechanisms for Isotopic Exchange in Gas-Phase D2O-H+ (H2O)n Reactions
Articolo
An Integrated Experimental and Theoretical Approach to the Spectroscopy of Organic-Dye-Sensitized TiO2 Heterointerfaces: Disentangling the Effects of Aggregation, Solvation, and Surface Protonation
Articolo
Angle-resolved photoelectron spectroscopy of randomly oriented 3-hydroxytetrahydrofuran enantiomers
Articolo
Banana-shaped molecules peculiarly oriented in a magnetic field: H-2 NMR spectroscopy and quantum mechanical calculations
Articolo
Bernauer's bands
Articolo
Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects
Articolo
CdSe Spherical Quantum Dots Stabilised by Thiomalic Acid: Biphasic Wet Synthesis and Characterisation
Articolo
CdSe/CdS Dot-in-Rods Nanocrystals Fast Blinking Dynamics.
Articolo
Cluster Formation through Hydrogen Bond Bridges across Chloride Anions in a Hydroxyl-Functionalized Ionic Liquid
Articolo
Comparison of Different Reweighting Approaches for the Calculation of Conformational Variability of Macromolecules from Molecular Simulations
Articolo
Computing the 1H NMR spectrum of a bulk ionic liquid from snapshots of Car-Parrinello molecular dynamics simulations
Articolo
Conformational Effects in Photoelectron Circular Dichroism of Alaninol
Articolo
Conformational Sensitivity in Photoelectron Circular Dichroism of 3-Methylcyclopentanone
Articolo
Conformational adaptation in supramolecular assembly on surfaces
Articolo
Conformational effects on circular dichroism in the photoelectron angular distribution
Articolo
Conformational landscape of supersonically expanded 1-(Fluorophenyl)ethanols and their monohydrated clusters
Articolo
Conformational landscapes and free jet rotational spectrum of indan-1-ol
Articolo
Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals
Articolo
Crystalline quality evaluation in carbon nanotubes by kinetic analysis in quasi-isothermal conditions
Articolo
CuO/ZnO nanocomposite gas sensors developed by a plasma-assisted route
Articolo
Cycloaddition Functionalization of Cleaved Microstructures
Articolo
Differences in Two-photon and One-photon Absorption Profiles induced by Vibronic Coupling. The case of dioxaborine heterocyclic dye.
Articolo
Drug-Polymer Interactions in Hydrogel-based Drug-Delivery Systems: An Experimental and Theoretical Study
Articolo
Effects of Water Intercalation and Tribochemistry on MoS2 Lubricity: An AbInitio Molecular Dynamics Investigation
Articolo
Electronic Energy Transfer in a Multiporphyrin-based Molecular Box
Articolo
Electronic Excited-State Engineering
Articolo
Equilibria between peroxo and hydroperoxo species in the titanosilicates: An in situ high-resolution XANES investigation
Articolo
Ethanol decomposition: C-C cleavage selectivity on Rh(111)
Articolo
Exciplex Formation in Lipid-bound Escherichia coli Flavohemoglobin
Articolo
Excitation Dynamics in Hetero-bichromophoric Calixarene Systems
Articolo
Experimental Determination of the Molar Absorption Coefficient of n-Hexane Adsorbed on High-Silica Zeolites
Articolo
Experimental and Theoretical Study of Helium Broadening and Shift of HCO+ Rotational Lines
Articolo
Experimental and theoretical study of the broadening and shifting of N2H+ rotational lines by helium
Articolo
Exploring the Porosity in Ceramics at the nm Scale: From Understanding Historical Ceramics to Innovative Materials Design
Articolo
Femtosecond Charge-Injection Dynamics at Hybrid Perovskite Interfaces
Articolo
Ferrimagnetic Heisenberg chains derived from [M(CN)(8)](3-) (M = MOV, W-V) building-blocks
Articolo
Fluoride Binding in Water: A New Environment for a Known Receptor
Articolo
Formation of Supramolecular Clusters at the Interface of Zeolite X Following the Adsorption of Rare-Earth Cations and Their Impact on the Macroscopic Properties of the Zeolite
Articolo
Hematite photoanodes modified with an Fe(III) water oxidation catalyst.
Articolo
High-Resolution Absorption and Electronic Circular Dichroism Spectra of (R)-(+)-1-Phenylethanol. Confident Interpretation Based on the Synergy between Experiments and Computations
Articolo
Highly emissive nanostructured thin films of organic host-guests for energy conversion
Articolo
In Situ Electroluminescence Color Tuning by Thermal Deprotonation Suitable for Thermal Sensors and Anti-fraud Labels
Articolo
Inception of Acetic Acid/Water Cluster Growth in Molecular Beams
Articolo
Influence of Polyfluorinated Side Chains and Soft-Template Method etc.
Articolo
Intense Vibronic Modulation of the Chiral Photoelectron Angular Distribution Generated by Photoionization of Limonene Enantiomers with Circularly Polarized Synchrotron Radiation
Articolo
Interpenetrating Polymer Network Microgels in Water: Effect of Composition on the Structural Properties and Electrosteric Interactions
Articolo
Intertorsional Interactions Revealing Absolute Configurations: The V(6) Internal Rotation Heavy-Top Case of Benzotrifluoride
Articolo
Ionization of 2-and 4(5)-Nitroimidazoles Radiosensitizers: a "Kinetic Competition" Between NO2 and NO Losses
Articolo
Is DFT Accurate Enough to Calculate Regioselectivity? The Case of 1,3-Dipolar Cycloaddition of Azide to Alkynes and Alkenes
Articolo
Isotope and surface temperature effects for hydrogen recombination on a graphite surface
Articolo
Light intensity effects on photoinduced charge separation parameters in a molecular triad based on an iridium(III) bis(terpyridine) unit
Articolo
Linear Configuration of the Spins of a Stable Trinitroxide Radical Based on a Ternary Helical Peptide.
Articolo
Look Better: Single Atoms in Chemistry and Single Atoms in Physics
Articolo
Metabolic Studies of Tumor Cells Using [1-C-13] Pyruvate Hyperpolarized by Means of PHIP-Side Arm Hydrogenation
Articolo
Mimicking Nature: A Novel Peptide-based Bio-inspired Approach for Solar Energy Conversion
Articolo
Modelling Charge Transfer in Weak Chemical Bonds: Insights from the Chemistry of Helium
Articolo
Multi-Colour Electroluminescence of Dendronic Antennae Containing Pyrenes as Light Harvesters
Articolo
NMR Investigation of Imidazolium-Based Ionic Liquids and Their Aqueous Mixtures
Articolo
Nanoscale phase segregated supramolecular blends of a functionalized perylene-bis-dicarboximide and an all-benzenoid polycyclic aromatic hydrocarbon: architectures for organic solar cells
Articolo
New Experimental and Theoretical Results for Argon Broadening and Shift of HCO+ Rotational Lines
Articolo
New insight into the properties of Proton-conducting oxides from neutron total scattering
Articolo
On-Surface Photochemistry of Pre-Ordered 1-Methyl-2-phenyl-acetylenes: C-H Bond Activation and Intermolecular Coupling on Highly Oriented Pyrolytic Graphite
Articolo
Ordered mesoporous thin films of rutile TiO2 nanocrystals mixed with amorphous Ta2O5
Articolo
Overcoming Steric Hindrance in Aryl-Aryl Homocoupling via On-Surface Copolymerization
Articolo
Photofragmentation of 2-deoxy-D-ribose molecules in the gas phase
Articolo
Photoionization, Structures, and Energetics of Na-Doped Formic Acid-Water Clusters
Articolo
Photophysical and Electrochemical Properties of meso,meso-Linked Oligoporphyrin Rods with Appended Fullerene Terminals
Articolo
Polarized Absorption, Spontaneous and Stimulated Blue Light Emission of J-type Tetraphenylbutadiene Monocrystals
Articolo
Polyvinyl-locked vs free quaterthiophene: effect of spatial constraints on the electronic properties of n-hexyl-quaterthiophene
Articolo
Protein unfolding and refolding under force: Methodologies for nanomechanics
Articolo
Quantum-classical calculation of the absorption and emission spectral shapes of oligothiophenes at low and room temperature by first-principle calculations
Articolo
Radical ions from 3, 3"',3"".tris(butylsulfanyl)2,3':5,2"::5",2"':5"',2"":5"",2""' sexithiophene: an experimental and theoretical study of the p- and n-doped oligomer
Articolo
Radical-Enhanced Intersystem Crossing in Perylene-Oxoverdazyl Radical Dyads
Articolo
Raman Spectra of Poly(p-phenylenevinylene)s with Fluorinated Vinylene Units: Evidence of Inter-ring Distortion
Articolo
Rational Design of Ag/TiO2 Nanosystems by a Combined RF-Sputtering/Sol-Gel Approach
Articolo
Recent Developments in Plasmonic Alloy Nanoparticles: Synthesis, Modelling, Properties and Applications
Articolo
Reentrant melting in the Gaussian-core model: The entropy imprint
Articolo
Relativistic DFT Calculations of Polyoxotungstate 183W NMR Spectra: Insight into their Solution Structure
Articolo
Reversible Metal-Hydride Transformation in Mg-Ti-H Nanoparticles at Remarkably Low Temperatures
Articolo
Scanning Probe Microscopy beyond Imaging: A General Tool for Quantitative Analysis
Articolo
Silica Xerogel Obtained by Ultrashort Laser Irradiation of Tetraethyl Orthosilicate
Articolo
Similar Structural Dynamics for the Degradation of CH3NH3PbI3 in Air and in Vacuum
Articolo
Single molecule mechanical unfolding of amyloidogenic ²2-microglobulin: the force-spectroscopy approach.
Articolo
Solvation of tetraalkylammonium chlorides in acetonitrile-water mixtures: Mass spectrometry and molecular dynamics simulations
Articolo
Stability of TiO2 Polymorphs: Exploring the Extreme Frontier of the Nanoscale
Articolo
State Coupling Induces Difference in Two-photon and One-photon Absorption Profiles of Dyes
Articolo
Static and Dynamical Structural Investigations of Metal-Oxide Nanocrystals by Powder X-ray Diffraction: Colloidal Tungsten Oxide as a Case Study
Articolo
Stepwise formation of ruthenium(II) complexes by direct reaction on organized assemblies of thiol-terpyridine species on gold
Articolo
Structural Characterization of Self-Assembled Tetra-Tryptophan Based Nanostructures: Variations on a Common Theme
Articolo
Structural and Relaxometric Characterization of Peptide Aggregates Containing Gadolinium Complexes as Potential Selective Contrast Agents in MRI
Articolo
Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations
Articolo
Study of the effect of water pressure on plasma and cavitation bubble induced by Pulsed Laser Ablation in Liquid (PLAL) of silver and missed variations of observable NPs features.
Articolo
Substrate Influence for the Zn-tetraphenyl-porphyrin Adsorption Geometry and the Interface-Induced Electron Transfer
Articolo
Synergistic role of B and F dopants in promoting the photocatalytic activity of rutile TiO2
Articolo
Synthesis, EPR and ENDOR of [60]fulleropyrrolidine bisadducts with nitroxide addends: Magnitude and sign of the exchange interaction
Articolo
Tailored Fabrication of Transferable and Hollow Weblike Titanium Dioxide Structures
Articolo
The Conformations of Amino Acids on a Gold(111) Surface
Articolo
The Molecular Cat
Articolo
The N3+ reactivity in ionized gases containing sulfur, nitrogen and carbon oxides
Articolo
The Origin and Dynamics of Soft X-Ray-Excited Optical Luminescence of ZnO
Articolo
The Reaction of Sulfur Dioxide Radical Cation with Hydrogen and its Relevance in Solar Geoengineering Models
Articolo
The Role of Triphenylamine in the Stabilization of Highly Efficient Polyfluorene-Based OLEDs: A Model Oligomers Study
Articolo
The absorption spectra of TA DNA unravelled by quantum mechanical calculations in solution on the (dT)2(dA)2 tetramer
Articolo
The interplay between pipi* and npi* lowest excited states in nonradiative decay of photoexcited thymine
Articolo
The lineshape of the electronic spectrum of the green fluorescent protein chromophore, Part II: Solution phase
Articolo
The lineshape of the electronic spectrum of the green fluorescent protein chromophore, Parti: Gas phase
Articolo
Theoretical design of substituted tetrathia-[7]-helicenes with large second-order nonlinear optical responses
Articolo
Theoretical investigation of the coupling between hydrogen-atom transfer and stacking interaction in adenine-thymine dimers
Articolo
Toward a Complete Understanding of the Vinyl Fluoride Spectrum in the Atmospheric Region
Articolo
Tracking conformational dynamics of polypeptides by nonlinear electronic spectroscopy of aromatic residues: A first-principles simulation study
Articolo
Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-fluorinated Aprotic Ionic-Liquid Mixtures
Articolo
Tuning the magnetic properties of the high-spin molecular cluster Fe(8)
Articolo
UV Photoionization of Sodium-Doped Formic Acid Clusters
Articolo
Ultrafast Electron Transfer in Complexes of Doxorubicin with Human Telomeric G-Quadruplexes and GC Duplexes Probed by Femtosecond Fluorescence Spectroscopy
Articolo
Ultrathin ?-conjugated polymer films for simple fabrication of large-area molecular junctions
Articolo
Unconventional Nonlinear Input-Output Response in a Luminescent Molecular Switch by Inner Filtering Effects
Articolo
Utilizing ancillary ligands to optimize the photophysical properties of 4H-imidazole ruthenium dyes
Articolo
Vapor-phase fabrication of beta-iron oxide nanopyramids for lithium-ion battery anodes
Articolo
Vibrational properties of DsRed model chromophores
Articolo
White luminescent silica layers: The molecular design beneath
Articolo
ZnO Nanorod Arrays by Plasma-Enhanced CVD for Light-Activated Functional Applications
Articolo
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