Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment.
about
Anharmonic exciton dynamics and energy dissipation in liquid water from two-dimensional infrared spectroscopy.Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.Five ab initio potential energy and dipole moment surfaces for hydrated NaCl and NaF. I. Two-body interactions.Communication: VSCF/VCI vibrational spectroscopy of H7O3+ and H9O4+ using high-level, many-body potential energy surface and dipole moment surfaces.Calculations of the IR spectra of bend fundamentals of (H2O)n=3,4,5 using the WHBB_2 potential and dipole moment surfaces.Hydrogen-bond structure dynamics in bulk water: insights from ab initio simulations with coupled cluster theory.
P2860
Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment.
description
2015 nî lūn-bûn
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2015年の論文
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2015年学术文章
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Quantum calculations of the IR ...... nd comparison with experiment.
@en
Quantum calculations of the IR ...... nd comparison with experiment.
@nl
type
label
Quantum calculations of the IR ...... nd comparison with experiment.
@en
Quantum calculations of the IR ...... nd comparison with experiment.
@nl
prefLabel
Quantum calculations of the IR ...... nd comparison with experiment.
@en
Quantum calculations of the IR ...... nd comparison with experiment.
@nl
P2093
P2860
P356
P1476
Quantum calculations of the IR ...... nd comparison with experiment.
@en
P2093
Hanchao Liu
Joel M Bowman
Yimin Wang
P2860
P304
P356
10.1063/1.4921045
P407
P577
2015-05-01T00:00:00Z