Toward a theory of chemical reactivity based on the charge density

Richard F. W. Bader; Preston J MacDougall

doi:10.1021/ja00310a007

Toward a theory of chemical reactivity based on the charge density

Journal of the American Chemical Society ◽

10.1021/ja00310a007 ◽

1985 ◽

Vol 107 (24) ◽

pp. 6788-6795 ◽

Cited By ~ 145

Author(s):

Richard F. W. Bader ◽

Preston J MacDougall

Keyword(s):

Charge Density ◽

Chemical Reactivity ◽

Theory Of Chemical Reactivity

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ChemInform Abstract: Toward a Theory of Chemical Reactivity Based on the Charge Density.

Chemischer Informationsdienst ◽

10.1002/chin.198612064 ◽

1986 ◽

Vol 17 (12) ◽

Author(s):

R. F. W. BADER ◽

P. J. MACDOUGALL

Keyword(s):

Charge Density ◽

Chemical Reactivity ◽

Theory Of Chemical Reactivity

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The Signification of Isocatalytic Data and the Socalled Protion Theory of Chemical Reactivity

The Journal of Physical Chemistry ◽

10.1021/j150279a010 ◽

1927 ◽

Vol 31 (9) ◽

pp. 1400-1403 ◽

Cited By ~ 1

Author(s):

H. M. Dawson

Keyword(s):

Chemical Reactivity ◽

Theory Of Chemical Reactivity

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ChemInform Abstract: Topology in Theory of Chemical Reactivity. Overlap Determinant Method

ChemInform ◽

10.1002/chin.199235321 ◽

2010 ◽

Vol 23 (35) ◽

pp. no-no

Author(s):

R. PONEC

Keyword(s):

Chemical Reactivity ◽

Theory Of Chemical Reactivity

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Natural resonance theory of chemical reactivity, with illustrative application to intramolecular Claisen rearrangement

Tetrahedron ◽

10.1016/j.tet.2018.07.054 ◽

2018 ◽

Vol 74 (37) ◽

pp. 4799-4804 ◽

Cited By ~ 5

Author(s):

E.D. Glendening ◽

F. Weinhold

Keyword(s):

Claisen Rearrangement ◽

Chemical Reactivity ◽

Resonance Theory ◽

Natural Resonance ◽

Natural Resonance Theory ◽

Theory Of Chemical Reactivity ◽

Illustrative Application

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Quantum Theory of Chemical Reactivity: Von R. Daudel; D. Reidel Publishing Company, Dordrecht und Boston 1973; 162 Seiten mit 29 Bildern und 35 Tabellen. Kartoniert $ 17.50.

Zeitschrift für Chemie ◽

10.1002/zfch.19740141130 ◽

2010 ◽

Vol 14 (11) ◽

pp. 458-458

Author(s):

Cornelius Weiss

Keyword(s):

Quantum Theory ◽

Chemical Reactivity ◽

Publishing Company ◽

Reidel Publishing Company ◽

Theory Of Chemical Reactivity

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Quantum Theory of Chemical Reactivity

Advances in Quantum Chemistry Volume 3 - Advances in Quantum Chemistry ◽

10.1016/s0065-3276(08)60089-1 ◽

1967 ◽

pp. 161-208 ◽

Cited By ~ 5

Author(s):

R. Daudel

Keyword(s):

Quantum Theory ◽

Chemical Reactivity ◽

Theory Of Chemical Reactivity

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Dynamical Behavior of the H2Molecule of the PtH(H2)[P(t-Bu)3]2+Complex. A Theory of Chemical Reactivity

The Journal of Physical Chemistry A ◽

10.1021/jp810336u ◽

2009 ◽

Vol 113 (13) ◽

pp. 3227-3236 ◽

Cited By ~ 3

Author(s):

Toshiaki Matsubara

Keyword(s):

Chemical Reactivity ◽

Dynamical Behavior ◽

Theory Of Chemical Reactivity

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Introduction of external field effects in the frontier molecular orbital theory of chemical reactivity

International Journal of Quantum Chemistry ◽

10.1002/qua.560440866 ◽

1992 ◽

Vol 44 (S26) ◽

pp. 751-760 ◽

Cited By ~ 1

Author(s):

Fernando Mendizabal ◽

Renato R. Contreras ◽

Arie J. Aizman

Keyword(s):

External Field ◽

Molecular Orbital ◽

Chemical Reactivity ◽

Frontier Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Field Effects ◽

Theory Of Chemical Reactivity

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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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