The properties of ion-water clusters. I. The protonated 21-water cluster.
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Site-specific vibrational spectral signatures of water molecules in the magic H3O+ (H2O)20 and Cs+ (H2O)20 clustersCore-level transient absorption spectroscopy as a probe of electron hole relaxation in photoionized H+(H2O)n.Gauging the flexibility of the active site in soybean lipoxygenase-1 (SLO-1) through an atom-centered density matrix propagation (ADMP) treatment that facilitates the sampling of rare events.Proton solvation and transport in aqueous and biomolecular systems: insights from computer simulationsExtension of the AMBER Force Field for Nitroxide Radicals and Combined QM/MM/PCM Approach to the Accurate Determination of EPR Parameters of DMPO-H in Solution.Chemical etching of zinc oxide for thin-film silicon solar cells.Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization.Quantum wavepacket ab initio molecular dynamics: generalizations using an extended Lagrangian treatment of diabatic states coupled through multireference electronic structure.Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale Born-Oppenheimer direct dynamics.Ab initio studies on the proton dissociation and infrared spectra of sulfonated poly(ether ether ketone) (SPEEK) membranes.Experimental nanocalorimetry of protonated and deprotonated water clusters.Theoretical investigation of the solid-liquid phase transition in protonated water clusters.Local and global dynamics of multi-resolved polymer chains: Effects of the interactions atoms-beads on the dynamic of the chains.Infrared photodissociation spectroscopy of H(+)(H2O)6·M(m) (M = Ne, Ar, Kr, Xe, H2, N2, and CH4): messenger-dependent balance between H3O(+) and H5O2(+) core isomers.Proton relays in anomalous carbocations dictate spectroscopy, stability, and mechanisms: case studies on C2H5+ and C3H3.A Grotthuss-like proton shuttle in the anomalous C2H3+ carbocation: energetic and vibrational properties for isotopologues.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.The vibrational proton potential in bulk liquid water and ice.The properties of ion-water clusters. II. Solvation structures of Na+, Cl-, and H+ clusters as a function of temperature.Large amplitude motion in cold monohydrated dihydrogen phosphate anions H2PO4(-)(H2O): infrared photodissociation spectroscopy combined with ab initio molecular dynamics simulations.Sum frequency generation surface spectra of ice, water, and acid solution investigated by an exciton model.The vibrational spectra of protonated water clusters: A benchmark for self-consistent-charge density-functional tight binding
P2860
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P2860
The properties of ion-water clusters. I. The protonated 21-water cluster.
description
2005 nî lūn-bûn
@nan
2005 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
The properties of ion-water clusters. I. The protonated 21-water cluster.
@ast
The properties of ion-water clusters. I. The protonated 21-water cluster.
@en
The properties of ion-water clusters. I. The protonated 21-water cluster.
@nl
type
label
The properties of ion-water clusters. I. The protonated 21-water cluster.
@ast
The properties of ion-water clusters. I. The protonated 21-water cluster.
@en
The properties of ion-water clusters. I. The protonated 21-water cluster.
@nl
prefLabel
The properties of ion-water clusters. I. The protonated 21-water cluster.
@ast
The properties of ion-water clusters. I. The protonated 21-water cluster.
@en
The properties of ion-water clusters. I. The protonated 21-water cluster.
@nl
P2093
P2860
P356
P1476
The properties of ion-water clusters. I. The protonated 21-water cluster.
@en
P2093
Christian J Burnham
Matt K Petersen
Tyler J F Day
Virginia E Teige
P2860
P304
P356
10.1063/1.2007628
P407
P577
2005-08-01T00:00:00Z