Mode-specific tunneling using the Qim path: theory and an application to full-dimensional malonaldehyde.
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Communication: Spectroscopic consequences of proton delocalization in OCHCO⁺.Full-dimensional characterization of photoelectron spectra of HOCO(-) and DOCO(-) and tunneling facilitated decay of HOCO prepared by anion photodetachment.Quantum and quasiclassical dynamics of the multi-channel H + H2S reaction.Mode specific dynamics in the H2 + SH → H + H2S reaction.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.Shallow-tunnelling correction factor for use with Wigner-Eyring transition-state theory.Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method.Effects of reactant rotational excitation on reactivity: Perspectives from the sudden limit
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Q45018085-20C28115-6161-4AF3-A5B5-A2D343DBAB34Q46893833-C1906189-C724-4793-98C0-75EBAB59B356Q47895758-04371A35-9465-49B3-A5F4-381EA76C5F95Q48053699-AB72FBBE-04C4-4D3B-BCF4-D9CF7027FF9DQ48054173-D987C919-9ED3-46C3-A76C-5798771C6D51Q48823140-6103B1DE-E430-4835-8B17-AF9BC1A527EAQ51065124-AD77C3BD-F9A9-4B21-B8F6-5AC2F5639E27Q58280465-F6A6D769-BD7D-4968-AF08-7C814F74B01F
P2860
Mode-specific tunneling using the Qim path: theory and an application to full-dimensional malonaldehyde.
description
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name
Mode-specific tunneling using ...... ull-dimensional malonaldehyde.
@en
Mode-specific tunneling using ...... ull-dimensional malonaldehyde.
@nl
type
label
Mode-specific tunneling using ...... ull-dimensional malonaldehyde.
@en
Mode-specific tunneling using ...... ull-dimensional malonaldehyde.
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prefLabel
Mode-specific tunneling using ...... ull-dimensional malonaldehyde.
@en
Mode-specific tunneling using ...... ull-dimensional malonaldehyde.
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P2860
P356
P1476
Mode-specific tunneling using ...... ull-dimensional malonaldehyde.
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P2093
Joel M Bowman
Yimin Wang
P2860
P304
P356
10.1063/1.4824713
P407
P577
2013-10-01T00:00:00Z