about
ATP hydrolysis in Eg5 kinesin involves a catalytic two-water mechanismAb initio molecular dynamics and quasichemical study of H+(aq)CO2 solvation free energy using quasi-chemical theory.Hydroxide and proton migration in aquaporins.Assessing the native state conformational distribution of ubiquitin by peptide acidityOn the recombination of hydronium and hydroxide ions in water.Effects of electric fields on proton transport through water chains.Natural polarizability and flexibility via explicit valency: the case of water.Proton defect solvation and dynamics in aqueous acid and base.Observation of a Zundel-like transition state during proton transfer in aqueous hydroxide solutions.Aqueous solutions: state of the art in ab initio molecular dynamics.Hydration structures of U(III) and U(IV) ions from ab initio molecular dynamics simulations.Quantum wavepacket ab initio molecular dynamics: generalizations using an extended Lagrangian treatment of diabatic states coupled through multireference electronic structure.Towards high conductivity in anion-exchange membranes for alkaline fuel cells.Proton transfer and the diffusion of H+ and OH- ions along water wires.Length scales and interfacial potentials in ion hydration.Solvation structures of protons and hydroxide ions in water.Molecular insights into the enhanced rate of CO2 absorption to produce bicarbonate in aqueous 2-amino-2-methyl-1-propanol.Multidimensional OH local mode calculations for OH(-)(H2O)3--importance of intermode anharmonicity.The structure of aqueous sodium hydroxide solutions: a combined solution x-ray diffraction and simulation study.Dynamical properties of liquid water from ab initio molecular dynamics performed in the complete basis set limit.Structure of liquid water at ambient temperature from ab initio molecular dynamics performed in the complete basis set limit.Multidimensional local mode calculations for the vibrational spectra of OH(-)(H2O)2 and OH(-)(H2O)2·Ar.Theoretical study on the difference of OH vibrational spectra between OH- (H2O)3 and OH- (H2O)4.Vibrational dynamics of aqueous hydroxide solutions probed using broadband 2DIR spectroscopy.Alkaline Anion-Exchange Membranes Containing Mobile Ion Shuttles.Insights from first principles molecular dynamics studies toward infrared multiple-photon and single-photon action spectroscopy: case study of the proton-bound dimethyl ether dimer.A statistical mechanical theory of proton transport kinetics in hydrogen-bonded networks based on population correlation functions with applications to acids and bases.On the origin of preferred bicarbonate production from carbon dioxide (CO₂) capture in aqueous 2-amino-2-methyl-1-propanol (AMP).Characterizing the local solvation environment of OH(-) in water clusters with AIMD.Proton transfer through hydrogen bonds in two-dimensional water layers: a theoretical study based on ab initio and quantum-classical simulations.Structure of 2 molar NaOH in aqueous solution from neutron diffraction and empirical potential structure refinementThermodynamically dominant hydration structures of aqueous ions
P2860
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P2860
description
2004 nî lūn-bûn
@nan
2004 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
Hydration and mobility of HO-(aq)
@ast
Hydration and mobility of HO-(aq)
@en
type
label
Hydration and mobility of HO-(aq)
@ast
Hydration and mobility of HO-(aq)
@en
prefLabel
Hydration and mobility of HO-(aq)
@ast
Hydration and mobility of HO-(aq)
@en
P2860
P356
P1476
Hydration and mobility of HO-(aq)
@en
P2093
Maria A Gomez
P2860
P304
P356
10.1073/PNAS.0401696101
P407
P577
2004-04-29T00:00:00Z