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  1. Outputs

CHEMPHYSCHEM (PRINT)

Journal
Identifier:
E035290
ISSN:
1439-4235
  • Overview

Overview

Outputs (133)

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