Computational IR spectroscopy of water: OH stretch frequencies, transition dipoles, and intermolecular vibrational coupling constants.

Computational IR spectroscopy of water: OH stretch frequencies, transition dipoles, and intermolecular vibrational coupling constants.

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http://www.wikidata.org/entity/Q51010880
Neighboring residue effects in terminally blocked dipeptides: implications for residual secondary structures in intrinsically unfolded/disordered proteins.Anharmonic exciton dynamics and energy dissipation in liquid water from two-dimensional infrared spectroscopy.Understanding water structure from Raman spectra of isotopic substitution H2O/D2O up to 573 K.Dimension of discrete variable representation for mixed quantum/classical computation of three lowest vibrational states of OH stretching in liquid water.Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function.Delocalization and stretch-bend mixing of the HOH bend in liquid water.Ultrafast pump-probe and 2DIR anisotropy and temperature-dependent dynamics of liquid water within the E3B model.Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment.Ion aggregation in high salt solutions. III. Computational vibrational spectroscopy of HDO in aqueous salt solutions.Coupling between intra- and intermolecular motions in liquid water revealed by two-dimensional terahertz-infrared-visible spectroscopy.
P2860

Computational IR spectroscopy of water: OH stretch frequencies, transition dipoles, and intermolecular vibrational coupling constants.

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http://www.wikidata.org/entity/Q51010880
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2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
@zh-cn
2013年学术文章
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2013年学术文章
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2013年學術文章
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name
Computational IR spectroscopy ...... ibrational coupling constants.
@en
Computational IR spectroscopy ...... ibrational coupling constants.
@nl
type
label
Computational IR spectroscopy ...... ibrational coupling constants.
@en
Computational IR spectroscopy ...... ibrational coupling constants.
@nl
prefLabel
Computational IR spectroscopy ...... ibrational coupling constants.
@en
Computational IR spectroscopy ...... ibrational coupling constants.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698
P356
P1433
P1476
Computational IR spectroscopy ...... ibrational coupling constants.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698