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Philosophy of voltage-gated proton channelsVoltage-gated proton channels: molecular biology, physiology, and pathophysiology of the H(V) familyUrea, but not guanidinium, destabilizes proteins by forming hydrogen bonds to the peptide group.Theoretical prediction of rare gas inserted hydronium ions: HRgOH2(+).Medium effects on 51V NMR chemical shifts: a density functional study.Synthesis and photophysics of a new family of fluorescent 9-alkyl-substituted xanthenones.Regioselective long-range proton transfer in new rifamycin antibiotics: a process in which crown ethers act as stronger Brønsted bases than amines.Gadolinium (III) ion in liquid water: structure, dynamics, and magnetic interactions from first principles.Infrared studies of ionic clusters: the influence of Yuan T. Lee.Ultrafast memory loss and energy redistribution in the hydrogen bond network of liquid H2O.H-atom relay reactions in real space.An integrated field-effect microdevice for monitoring membrane transport in Xenopus laevis oocytes via lateral proton diffusion.The properties of ion-water clusters. I. The protonated 21-water cluster.Site-specific vibrational spectral signatures of water molecules in the magic H3O+ (H2O)20 and Cs+ (H2O)20 clustersAssessing the structure of membrane proteins: combining different methods gives the full picture.Universal pathway for posttransfer editing reactions: insights from the crystal structure of TtPheRS with puromycinEffects of electric fields on proton transport through water chains.Structures and spectral signatures of protonated water networks in bacteriorhodopsin.Multiscale reactive molecular dynamicsEnergetics and dynamics of proton transfer reactions along short water wires.Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enaminesAccelerating slow excited state proton transfer.Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.Probing the mechanisms of proton transfer in liquid water.Proton transfer through the water gossamer.Nuclear quantum effects and hydrogen bond fluctuations in water.Quantum simulation of thermally-driven phase transition and oxygen K-edge x-ray absorption of high-pressure ice.Observation of a Zundel-like transition state during proton transfer in aqueous hydroxide solutions.Proton transport in functionalised additives for PEM fuel cells: contributions from atomistic simulations.Redox and electrochemical water splitting catalytic properties of hydrated metal oxide modified electrodes.Microscopic properties of liquid water from combined ab initio molecular dynamics and energy decomposition studies.Aqueous solutions: state of the art in ab initio molecular dynamics."Why not stoichiometry" versus "Stoichiometry--why not?" Part II: GATES in context with redox systems.Acidity Constant (pKa ) Calculation of Large Solvated Dye Molecules: Evaluation of Two Advanced Molecular Dynamics Methods.Comprehensive Peptide Ion Structure Studies Using Ion Mobility Techniques: Part 1. An Advanced Protocol for Molecular Dynamics Simulations and Collision Cross-Section Calculation.Collective proton transfer in ordinary ice: local environments, temperature dependence and deuteration effects.Ab initio molecular dynamics study of H-bonding and proton transfer in the phosphoric acid-N,N-Dimethylformamide system.A polarizable reactive force field for water to enable molecular dynamics simulations of proton transport.Ab initio molecular dynamics investigation of structural, dynamic and spectroscopic aspects of Se(vi) species in the aqueous environment.A modified two-state empirical valence bond model for proton transport in aqueous solutions.
P2860
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P2860
description
article publié dans la revue scientifique Nature
@fr
scientific article published in Nature
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована в Nature в лютому 1999
@uk
name
The nature of the hydrated excess proton in water
@en
The nature of the hydrated excess proton in water
@nl
type
label
The nature of the hydrated excess proton in water
@en
The nature of the hydrated excess proton in water
@nl
prefLabel
The nature of the hydrated excess proton in water
@en
The nature of the hydrated excess proton in water
@nl
P2093
P356
P1433
P1476
The nature of the hydrated excess proton in water
@en
P2093
Dominik Marx
Jürg Hutter
Mark E. Tuckerman
Michele Parrinello
P2888
P304
P356
10.1038/17579
P407
P577
1999-02-01T00:00:00Z
P6179
1004423904