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2,196
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Globally optimal catalytic fields for a Diels–Alder reaction
Author(s):
Mark Dittner
1
,
Bernd Hartke
1
Publication date
Created:
March 21 2020
Publication date
(Print):
March 21 2020
Journal:
The Journal of Chemical Physics
Publisher:
AIP Publishing
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87
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
Graeme Henkelman
,
Blas P Uberuaga
,
Hannes Jónsson
(2000)
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Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
Graeme Henkelman
,
Hannes Jónsson
(2000)
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A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
Christopher I. Bayly
,
Piotr Cieplak
,
Wendy Cornell
…
(1993)
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Author and article information
Contributors
Mark Dittner:
(View ORCID Profile)
Bernd Hartke:
(View ORCID Profile)
Journal
Title:
The Journal of Chemical Physics
Abbreviated Title:
J. Chem. Phys.
Publisher:
AIP Publishing
ISSN (Print):
0021-9606
ISSN (Electronic):
1089-7690
Publication date Created:
March 21 2020
Publication date (Print):
March 21 2020
Volume
: 152
Issue
: 11
Page
: 114106
Affiliations
[
1
]
Institute for Physical Chemistry, Christian-Albrechts-University Kiel, 24098 Kiel, Germany
Article
DOI:
10.1063/1.5142839
SO-VID:
2d1ac235-6005-44a2-8316-4dad651b7da5
Copyright ©
© 2020
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