2D IR spectra of cyanide in water investigated by molecular dynamics simulations.
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Structure of Penta-Alanine Investigated by Two-Dimensional Infrared Spectroscopy and Molecular Dynamics SimulationVibrational Stark spectroscopy for assessing ligand-binding strengths in a protein.Structural Interpretation of Metastable States in Myoglobin-NO.Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study.Water-anion hydrogen bonding dynamics: Ultrafast IR experiments and simulations.Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields.Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics.Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches.Vibrational dynamics and solvatochromism of the label SCN in various solvents and hemoglobin by time dependent IR and 2D-IR spectroscopy.The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates.Structure and Dynamics of Water/Methanol Mixtures at Hydroxylated Silica Interfaces Relevant to Chromatography.A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field.
P2860
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P2860
2D IR spectra of cyanide in water investigated by molecular dynamics simulations.
description
2013 nî lūn-bûn
@nan
2013 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
name
2D IR spectra of cyanide in water investigated by molecular dynamics simulations.
@ast
2D IR spectra of cyanide in water investigated by molecular dynamics simulations.
@en
type
label
2D IR spectra of cyanide in water investigated by molecular dynamics simulations.
@ast
2D IR spectra of cyanide in water investigated by molecular dynamics simulations.
@en
prefLabel
2D IR spectra of cyanide in water investigated by molecular dynamics simulations.
@ast
2D IR spectra of cyanide in water investigated by molecular dynamics simulations.
@en
P2093
P2860
P356
P1476
2D IR spectra of cyanide in water investigated by molecular dynamics simulations
@en
P2093
Joshua K Carr
Markus Meuwly
Michael Göllner
Myung Won Lee
P2860
P304
P356
10.1063/1.4815969
P407
P50
P577
2013-08-01T00:00:00Z