Hydrogen-bonded acetic acid dimers: anharmonic coupling and linear infrared spectra studied with density-functional theory.
about
Theoretical analysis of anharmonic coupling and cascading Raman signals observed with femtosecond stimulated Raman spectroscopy.A transferable electrostatic map for solvation effects on amide I vibrations and its application to linear and two-dimensional spectroscopy.Standard free energy of the equilibrium between the trans-monomer and the cyclic-dimer of acetic acid in the gas phase from infrared spectroscopy.Encasing of Na+ ion in dimer-formed acetic acid clusters.N-H stretching excitations in adenosine-thymidine base pairs in solution: pair geometries, infrared line shapes, and ultrafast vibrational dynamics.Probing the stiffness of the simplest double hydrogen bond: the symmetric hydrogen bond modes of jet-cooled formic acid dimer.Ultrafast N-H vibrational dynamics of cyclic doubly hydrogen-bonded homo- and heterodimers.Two-dimensional femtosecond stimulated Raman spectroscopy: Observation of cascading Raman signals in acetonitrile.Intermolecular proton-transfer in acetic acid clusters induced by vacuum-ultraviolet photoionization.Infrared-induced coherent vibration of a hydrogen-bonded system: effects of mechanical and electrical anharmonic couplings.First-principles investigation of isomerization by proton transfer in beta-fumaric acid crystal.Understanding the influence of low-frequency vibrations on the hydrogen bonds of acetic acid and acetamide dimers.Simulation of vibrational energy transfer in two-dimensional infrared spectroscopy of amide I and amide II modes in solution.Tuning intramolecular anharmonic vibrational coupling in 4-nitroaniline by solvent-solute interaction.A combined electronic structure and molecular dynamics approach to computing the OH vibrational feature of strongly hydrogen-bonded carboxylic acids.Infrared spectra of (HCOOH)(2) and (DCOOH)(2) in rare gas matrices: a comparative study with gas phase spectra.Nonadiabatic vibrational dynamics in the HCO2 (-)⋅H2O complex.Solvent and conformation dependence of amide I vibrations in peptides and proteins containing proline.Fourier transform infrared spectroscopy of 2'-deoxycytidine aggregates in CDCl3 solutions.Unraveling the structure of hydrogen bond stretching mode infrared absorption bands: an anharmonic density functional theory study on 7-azaindole dimers.Anharmonic couplings underlying the ultrafast vibrational dynamics of hydrogen bonds in liquids.Direct observation of the cyclic dimer in liquid acetic acid by probing the C=O vibration with ultrafast coherent Raman spectroscopy
P2860
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P2860
Hydrogen-bonded acetic acid dimers: anharmonic coupling and linear infrared spectra studied with density-functional theory.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年学术文章
@wuu
2005年学术文章
@zh
2005年学术文章
@zh-cn
2005年学术文章
@zh-hans
2005年学术文章
@zh-my
2005年学术文章
@zh-sg
2005年學術文章
@yue
2005年學術文章
@zh-hant
name
Hydrogen-bonded acetic acid di ...... ith density-functional theory.
@en
Hydrogen-bonded acetic acid di ...... ith density-functional theory.
@nl
type
label
Hydrogen-bonded acetic acid di ...... ith density-functional theory.
@en
Hydrogen-bonded acetic acid di ...... ith density-functional theory.
@nl
prefLabel
Hydrogen-bonded acetic acid di ...... ith density-functional theory.
@en
Hydrogen-bonded acetic acid di ...... ith density-functional theory.
@nl
P2860
P356
P1476
Hydrogen-bonded acetic acid di ...... ith density-functional theory.
@en
P2093
Jens Dreyer
P2860
P304
P356
10.1063/1.1891727
P407
P577
2005-05-01T00:00:00Z