Expansive Quantum Mechanical Exploration of Chemical Reaction Paths

Accounts of Chemical Research ◽

10.1021/acs.accounts.1c00472 ◽

2021 ◽

Author(s):

Alberto Baiardi ◽

Stephanie A. Grimmel ◽

Miguel Steiner ◽

Paul L. Türtscher ◽

Jan P. Unsleber ◽

...

Keyword(s):

Chemical Reaction ◽

Quantum Mechanical ◽

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Quantum Mechanical Study of Chemical Reaction Dynamics

Horizons of Quantum Chemistry ◽

10.1007/978-94-009-9027-2_7 ◽

1980 ◽

pp. 63-85 ◽

Author(s):

Robert E. Wyatt

Keyword(s):

Chemical Reaction ◽

Reaction Dynamics ◽

Quantum Mechanical ◽

Mechanical Study ◽

Chemical Reaction Dynamics ◽

Quantum Mechanical Study

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A Quantum-Mechanical Consideration of Chemical Reaction Rates

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.29.1 ◽

1956 ◽

Vol 29 (1) ◽

pp. 1-7 ◽

Author(s):

Iwao Yasumori ◽

Kenji Fueki

Keyword(s):

Chemical Reaction ◽

Reaction Rates ◽

Quantum Mechanical ◽

Chemical Reaction Rates

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Chemical reaction paths. 7. Pathways for SN2 and SN3 substitution at tin(IV)

Journal of the American Chemical Society ◽

10.1021/ja00401a011 ◽

1981 ◽

Vol 103 (11) ◽

pp. 2971-2979 ◽

Author(s):

Doyle Britton ◽

Jack D. Dunitz

Keyword(s):

Chemical Reaction ◽

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A quantum-mechanical study of chemical reaction and charge-transfer processes in the (Ar + H2)+ system

Chemical Physics Letters ◽

10.1016/0009-2614(86)80567-x ◽

1986 ◽

Vol 131 (6) ◽

pp. 468-474 ◽

Author(s):

Michael Baer ◽

Hiroki Nakamura ◽

Akihiko Ohsaki

Keyword(s):

Charge Transfer ◽

Chemical Reaction ◽

Quantum Mechanical ◽

Transfer Processes ◽

Mechanical Study ◽

Quantum Mechanical Study

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Quantum-Mechanical Considerations of Chemical Reaction Rates. II. The Transmission through Curved Reaction Path

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.32.913 ◽

1959 ◽

Vol 32 (9) ◽

pp. 913-920 ◽

Author(s):

Iwao Yasumori

Keyword(s):

Chemical Reaction ◽

Reaction Path ◽

Reaction Rates ◽

Quantum Mechanical ◽

Chemical Reaction Rates

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Chemical reaction paths—VI

Tetrahedron ◽

10.1016/0040-4020(75)80153-0 ◽

1975 ◽

Vol 31 (24) ◽

pp. 3089-3092 ◽

Author(s):

H.B. Bürgi ◽

Eli Shefter ◽

J.D. Dunitz

Keyword(s):

Chemical Reaction ◽

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Finding Chemical Reaction Paths with a Multilevel Preconditioning Protocol

Journal of Chemical Theory and Computation ◽

10.1021/ct500852y ◽

2014 ◽

Vol 10 (12) ◽

pp. 5467-5475 ◽

Author(s):

Seyit Kale ◽

Olaseni Sode ◽

Jonathan Weare ◽

Aaron R. Dinner

Keyword(s):

Chemical Reaction ◽

Reaction Paths ◽

Multilevel Preconditioning

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Chemical reaction paths. 9. Conformational interconversions of Wilkinson's catalyst and of related square-planar XM(PR3)3 compounds as determined from systematic analysis of solid-state structural data

Journal of the American Chemical Society ◽

10.1021/ja00362a011 ◽

1983 ◽

Vol 105 (24) ◽

pp. 7081-7093 ◽

Author(s):

K. Chandrasekhar ◽

Hans Beat Buergi

Keyword(s):

Solid State ◽

Chemical Reaction ◽

Structural Data ◽

Reaction Paths ◽

Systematic Analysis ◽

Square Planar ◽

Wilkinson’S Catalyst ◽

Wilkinson's Catalyst

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Chemical reaction paths. V. SN1 reaction of tetrahedral molecules

Journal of the American Chemical Society ◽

10.1021/ja00837a055 ◽

1975 ◽

Vol 97 (4) ◽

pp. 921-922 ◽

Author(s):

Peter Murray-Rust ◽

Hans B. Buergi ◽

J. D. Dunitz

Keyword(s):

Chemical Reaction ◽

Reaction Paths ◽

Tetrahedral Molecules

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Quantum-Mechanical Approaches to the Study of Enzymic Transition States and Reaction Paths

Transition States of Biochemical Processes ◽

10.1007/978-1-4684-9978-0_3 ◽

1978 ◽

pp. 119-163

Author(s):

Gerald M. Maggiora ◽

Ralph E. Christoffersen

Keyword(s):

Transition States ◽

Quantum Mechanical ◽

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