Nonempirical calculations of the potential surfaces of chemical reactions

N. N. Murav'eva; V. I. Baranovskii

doi:10.1007/bf00746297

Nonempirical calculations of the potential surfaces of chemical reactions

Journal of Structural Chemistry ◽

10.1007/bf00746297 ◽

1979 ◽

Vol 20 (1) ◽

pp. 84-102

Author(s):

N. N. Murav'eva ◽

V. I. Baranovskii

Keyword(s):

Chemical Reactions ◽

Potential Surfaces ◽

Nonempirical Calculations

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What is special about how roaming chemical reactions traverse their potential surfaces? Differences in geodesic paths between roaming and non-roaming events

The Journal of Chemical Physics ◽

10.1063/1.4984617 ◽

2017 ◽

Vol 146 (21) ◽

pp. 214303 ◽

Cited By ~ 4

Author(s):

D. Vale Cofer-Shabica ◽

Richard M. Stratt

Keyword(s):

Chemical Reactions ◽

Potential Surfaces ◽

Geodesic Paths

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All-electron nonempirical calculations of potential surfaces. 4. Abstraction reactions of chlorine on methane

Journal of the American Chemical Society ◽

10.1021/ja00439a006 ◽

1976 ◽

Vol 98 (23) ◽

pp. 7152-7156 ◽

Cited By ~ 2

Author(s):

Edwin L. Motell ◽

William H. Fink

Keyword(s):

Potential Surfaces ◽

Nonempirical Calculations

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General properties of multidimensional potential surfaces for chemical reactions

Journal of Structural Chemistry ◽

10.1007/bf00739129 ◽

1971 ◽

Vol 12 (2) ◽

pp. 315-317

Author(s):

I. V. Krivoshei ◽

L. A. Sleta

Keyword(s):

Chemical Reactions ◽

Potential Surfaces ◽

General Properties

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All-electron nonempirical calculations of potential surfaces. III. Dissociation of ketene into methylene and carbon monoxide

Journal of the American Chemical Society ◽

10.1021/ja00419a002 ◽

1976 ◽

Vol 98 (3) ◽

pp. 648-655 ◽

Cited By ~ 13

Author(s):

Phil Pendergast ◽

William H. Fink

Keyword(s):

Carbon Monoxide ◽

Potential Surfaces ◽

Nonempirical Calculations

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ChemInform Abstract: ALL-ELECTRON NONEMPIRICAL CALCULATIONS OF POTENTIAL SURFACES. III. DISSOCIATION OF KETENE INTO METHYLENE AND CARBON MONOXIDE

Chemischer Informationsdienst ◽

10.1002/chin.197617098 ◽

1976 ◽

Vol 7 (17) ◽

pp. no-no

Author(s):

PHIL PENDERGAST ◽

WILLIAM H. FINK

Keyword(s):

Carbon Monoxide ◽

Potential Surfaces ◽

Nonempirical Calculations

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Potential surfaces of chemical reactions in solution by the dielectric continuum method

Journal of Molecular Structure ◽

10.1016/s0022-2860(10)80057-2 ◽

1994 ◽

Vol 310 ◽

pp. 67-75 ◽

Cited By ~ 2

Author(s):

H. Sato ◽

S. Kato

Keyword(s):

Chemical Reactions ◽

Potential Surfaces ◽

Dielectric Continuum

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General properties of multidimensional potential surfaces of chemical reactions

Journal of Structural Chemistry ◽

10.1007/bf00745795 ◽

1969 ◽

Vol 10 (2) ◽

pp. 289-291

Author(s):

I. V. Krivoshei

Keyword(s):

Chemical Reactions ◽

Potential Surfaces ◽

General Properties

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Nonempirical calculations on potential surfaces for gas-phase SN2 nucleophilic substitution reactions

Theoretical and Experimental Chemistry ◽

10.1007/bf00521149 ◽

1986 ◽

Vol 22 (3) ◽

pp. 253-260

Author(s):

V. M. Ryaboi

Keyword(s):

Nucleophilic Substitution ◽

Gas Phase ◽

Substitution Reactions ◽

Potential Surfaces ◽

Nucleophilic Substitution Reactions ◽

Nonempirical Calculations

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All-electron nonempirical calculations of potential surfaces. II. Dissociation of formaldehyde into molecular products

Journal of the American Chemical Society ◽

10.1021/ja00759a008 ◽

1972 ◽

Vol 94 (4) ◽

pp. 1078-1082 ◽

Cited By ~ 12

Author(s):

William H. Fink

Keyword(s):

Potential Surfaces ◽

Nonempirical Calculations

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All-electron nonempirical calculations of potential surfaces. I. Dissociation of formaldehyde into radical products

Journal of the American Chemical Society ◽

10.1021/ja00759a007 ◽

1972 ◽

Vol 94 (4) ◽

pp. 1073-1078 ◽

Cited By ~ 22

Author(s):

William H. Fink

Keyword(s):

Potential Surfaces ◽

Nonempirical Calculations

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