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Computational Study of H
2
S Release in Reactions of Diallyl Polysulfides with Thiols
Author(s):
You-Ru Cai
1
,
Ching-Han Hu
1
Publication date
(Electronic):
June 23 2017
Journal:
The Journal of Physical Chemistry B
Publisher:
American Chemical Society (ACS)
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Computational epistasis
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee
,
Weitao Yang
,
Robert Parr
(1988)
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke
(1993)
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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao
,
Donald G. Truhlar
(2008)
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Author and article information
Contributors
Ching-Han Hu:
(View ORCID Profile)
Journal
Title:
The Journal of Physical Chemistry B
Abbreviated Title:
J. Phys. Chem. B
Publisher:
American Chemical Society (ACS)
ISSN (Print):
1520-6106
ISSN (Electronic):
1520-5207
Publication date Created:
July 06 2017
Publication date (Electronic):
June 23 2017
Publication date (Print):
July 06 2017
Volume
: 121
Issue
: 26
Pages
: 6359-6366
Affiliations
[
1
]
Department of Chemistry, National Changhua University of Education, Changhua 50058, Taiwan
Article
DOI:
10.1021/acs.jpcb.7b03683
PubMed ID:
28609097
SO-VID:
355ff97f-4bef-4fd4-ac17-35a68cbde3bf
Copyright ©
© 2017
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