Zero-point energy correction for trajectory rate data

Lim, Kieran F. 1997, Zero-point energy correction for trajectory rate data, Journal of the Chemical Society, Faraday Transactions, vol. 93, no. 4, pp. 669-672, doi: 10.1039/A608119C.

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Title Zero-point energy correction for trajectory rate data
Author(s) Lim, Kieran F.ORCID iD for Lim, Kieran F. orcid.org/0000-0001-5355-8030
Journal name Journal of the Chemical Society, Faraday Transactions
Volume number 93
Issue number 4
Start page 669
End page 672
Total pages 4
Publisher Royal Society of Chemistry
Place of publication Cambridge, Eng.
Publication date 1997
ISSN 0956-5000
Keyword(s) molecular dynamics (MD)
quasiclassical trajectory (QCT)
Rampsberger-Rice-Kassel-Marcus (RRKM)
unimolecular reaction
ZPE correction
ZPE preservation
Science & Technology
Physical Sciences
Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
DYNAMICS
MODEL
CONSERVATION
SIMULATIONS
CONSTRAIN
SURFACES
QUANTUM
Language eng
DOI 10.1039/A608119C
HERDC Research category CN.1 Other journal article
Copyright notice ©1997, Royal Society of Chemistry
Persistent URL http://hdl.handle.net/10536/DRO/DU:30076146

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