One-dimensional tunneling calculations in the imaginary-frequency, rectilinear saddle-point normal mode.

One-dimensional tunneling calculations in the imaginary-frequency, rectilinear saddle-point normal mode.

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http://www.wikidata.org/entity/Q46221696
NMR and IR Investigations of Strong Intramolecular Hydrogen Bonds.Communication: Prediction of the rate constant of bimolecular hydrogen exchange in the water dimer using an ab initio potential energy surface.Ring-polymer instanton method for calculating tunneling splittings.An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in relaxed 1-4-mode subspaces.Sub-Doppler infrared spectroscopy of CH2OH radical in a slit supersonic jet: Vibration-rotation-tunneling dynamics in the symmetric CH stretch manifold.Shallow-tunnelling correction factor for use with Wigner-Eyring transition-state theory.A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water.Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method.Large-amplitude dynamics in vinyl radical: the role of quantum tunneling as an isomerization mechanism.Mode-specific tunneling using the Qim path: theory and an application to full-dimensional malonaldehyde.
P2860

One-dimensional tunneling calculations in the imaginary-frequency, rectilinear saddle-point normal mode.

Item
http://www.wikidata.org/entity/Q46221696
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2008 nî lūn-bûn
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2008年の論文
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2008年学术文章
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2008年学术文章
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2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
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2008年學術文章
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2008年學術文章
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2008年學術文章
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name
One-dimensional tunneling calc ...... near saddle-point normal mode.
@en
One-dimensional tunneling calc ...... near saddle-point normal mode.
@nl
type
label
One-dimensional tunneling calc ...... near saddle-point normal mode.
@en
One-dimensional tunneling calc ...... near saddle-point normal mode.
@nl
prefLabel
One-dimensional tunneling calc ...... near saddle-point normal mode.
@en
One-dimensional tunneling calc ...... near saddle-point normal mode.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698
P356
P1433
P1476
One-dimensional tunneling calc ...... near saddle-point normal mode.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698