Density functional approach to the frontier-electron theory of chemical reactivity

Robert G. Parr; Weitao Yang

doi:10.1021/ja00326a036

Density functional approach to the frontier-electron theory of chemical reactivity

Journal of the American Chemical Society ◽

10.1021/ja00326a036 ◽

1984 ◽

Vol 106 (14) ◽

pp. 4049-4050 ◽

Cited By ~ 1840

Author(s):

Robert G. Parr ◽

Weitao Yang

Keyword(s):

Density Functional ◽

Chemical Reactivity ◽

Functional Approach ◽

Electron Theory ◽

Theory Of Chemical Reactivity

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ChemInform Abstract: Perspective on “Density Functional Approach to the Frontier-Electron Theory of Chemical Reactivity”

ChemInform ◽

10.1002/chin.200029287 ◽

2010 ◽

Vol 31 (29) ◽

pp. no-no

Author(s):

Paul W. Ayers ◽

Mel Levy

Keyword(s):

Density Functional ◽

Chemical Reactivity ◽

Functional Approach ◽

Electron Theory ◽

Theory Of Chemical Reactivity

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Perspective on “Density functional approach to the frontier-electron theory of chemical reactivity”

Theoretical Chemistry Accounts ◽

10.1007/978-3-662-10421-7_59 ◽

2000 ◽

pp. 353-360 ◽

Cited By ~ 8

Author(s):

Paul W. Ayers ◽

Mel Levy

Keyword(s):

Density Functional ◽

Chemical Reactivity ◽

Functional Approach ◽

Electron Theory ◽

Theory Of Chemical Reactivity

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Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity"

Theoretical Chemistry Accounts ◽

10.1007/s002149900093 ◽

2000 ◽

Vol 103 (3-4) ◽

pp. 353-360 ◽

Cited By ~ 296

Author(s):

Paul W. Ayers ◽

Mel Levy

Keyword(s):

Density Functional ◽

Chemical Reactivity ◽

Functional Approach ◽

Electron Theory ◽

Theory Of Chemical Reactivity

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ChemInform Abstract: DENSITY FUNCTIONAL APPROACH TO THE FRONTIER-ELECTRON THEORY OF CHEMICAL REACTIVITY

Chemischer Informationsdienst ◽

10.1002/chin.198442067 ◽

1984 ◽

Vol 15 (42) ◽

Author(s):

R. G. PARR ◽

W. YANG

Keyword(s):

Density Functional ◽

Chemical Reactivity ◽

Functional Approach ◽

Electron Theory ◽

Theory Of Chemical Reactivity

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Chemical reactivity analysis of deoxyribonucleosides and deoxyribonucleoside analogues (NRTIs): a first-principles density functional approach

Journal of Molecular Modeling ◽

10.1007/s00894-012-1391-6 ◽

2012 ◽

Vol 18 (8) ◽

pp. 3969-3980 ◽

Cited By ~ 6

Author(s):

Vipin Kumar ◽

Shyam Kishor ◽

Lavanya M. Ramaniah

Keyword(s):

First Principles ◽

Density Functional ◽

Chemical Reactivity ◽

Functional Approach

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Quantum fluid density functional theory of chemical reactivity in a two-state ensemble

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00444-3 ◽

2000 ◽

Vol 501-502 ◽

pp. 339-352 ◽

Cited By ~ 6

Author(s):

P.K. Chattaraj ◽

S. Sengupta ◽

A. Poddar

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Reactivity ◽

Fluid Density ◽

Functional Theory ◽

Quantum Fluid ◽

State Ensemble ◽

Theory Of Chemical Reactivity

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Conceptual Density Functional Theory of Chemical Reactivity

Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition) ◽

10.2174/9781681081977115010013 ◽

2015 ◽

pp. 196-221

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Reactivity ◽

Conceptual Density Functional Theory ◽

Functional Theory ◽

Theory Of Chemical Reactivity

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Density functional theory of chemical reactivity

Chemical Modelling ◽

10.1039/9781782620112-00151 ◽

2014 ◽

pp. 151-174 ◽

Cited By ~ 7

Author(s):

Patricio Fuentealba ◽

Carlos Cárdenas

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Reactivity ◽

Functional Theory ◽

Theory Of Chemical Reactivity

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Conceptual Density Functional Theory of Chemical Reactivity

Advances in Mathematical Chemistry and Applications ◽

10.2174/9781608059287114010013 ◽

2014 ◽

pp. 196-221

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Reactivity ◽

Conceptual Density Functional Theory ◽

Functional Theory ◽

Theory Of Chemical Reactivity

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Density functional theory of chemical reactivity indices in some ion?molecule reaction systems

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1996)57:4<673::aid-qua14>3.0.co;2-1 ◽

1996 ◽

Vol 57 (4) ◽

pp. 673-682 ◽

Cited By ~ 4

Author(s):

Akitomo Tachibana ◽

Susumu Kawauchi ◽

Koichi Nakamura ◽

Hideyuki Inaba

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Reactivity ◽

Functional Theory ◽

Reaction Systems ◽

Molecule Reaction ◽

Reactivity Indices ◽

Theory Of Chemical Reactivity

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