Effective valence bond hamiltonian for the cations of conjugated hydrocarbons

Xavier Gadea; Daniel Maynau; Jean-Paul Malrieu

doi:10.1002/qua.560260102

Effective valence bond hamiltonian for the cations of conjugated hydrocarbons

International Journal of Quantum Chemistry ◽

10.1002/qua.560260102 ◽

1984 ◽

Vol 26 (1) ◽

pp. 1-20 ◽

Cited By ~ 10

Author(s):

Xavier Gadea ◽

Daniel Maynau ◽

Jean-Paul Malrieu

Keyword(s):

Valence Bond ◽

Conjugated Hydrocarbons ◽

Effective Valence

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ChemInform Abstract: Effective Valence Bond Model Study on Conjugated Hydrocarbons Containing Four-Membered Rings

ChemInform ◽

10.1002/chin.199652033 ◽

2010 ◽

Vol 27 (52) ◽

pp. no-no

Author(s):

J. MA ◽

S. LI ◽

Y. JIANG

Keyword(s):

Valence Bond ◽

Conjugated Hydrocarbons ◽

Bond Model ◽

Model Study ◽

Effective Valence

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Effective Valence Bond Model Study on Conjugated Hydrocarbons Containing Four-Membered Rings

The Journal of Physical Chemistry ◽

10.1021/jp960802+ ◽

1996 ◽

Vol 100 (37) ◽

pp. 15068-15072 ◽

Cited By ~ 7

Author(s):

Jing Ma ◽

Shuhua Li ◽

Yuansheng Jiang

Keyword(s):

Valence Bond ◽

Conjugated Hydrocarbons ◽

Bond Model ◽

Model Study ◽

Effective Valence

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Valence bond theory for conjugated hydrocarbons

Pure and Applied Chemistry ◽

10.1351/pac198855020299 ◽

1983 ◽

Vol 55 (2) ◽

pp. 299-306 ◽

Cited By ~ 50

Author(s):

D. J. Klein

Keyword(s):

Valence Bond ◽

Valence Bond Theory ◽

Conjugated Hydrocarbons ◽

Bond Theory

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The transferability of effective exchange integrals in the non-empirical effective valence bond Hamiltonian: A minimal basis study of Hn systems

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(91)90148-d ◽

1991 ◽

Vol 229 ◽

pp. 219-247 ◽

Cited By ~ 1

Author(s):

P. Blaise ◽

P. Breysse ◽

O. Henri-Rousseau ◽

J.P. Malrieu ◽

D. Maynau

Keyword(s):

Valence Bond ◽

Minimal Basis ◽

Effective Exchange ◽

Effective Valence

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Effective valence-bond theory for strongly correlated systems

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2017.01.006 ◽

2017 ◽

Vol 1116 ◽

pp. 59-63 ◽

Cited By ~ 1

Author(s):

Marie-Bernadette Lepetit ◽

Alain Gellé

Keyword(s):

Valence Bond ◽

Strongly Correlated Systems ◽

Strongly Correlated ◽

Correlated Systems ◽

Valence Bond Theory ◽

Bond Theory ◽

Effective Valence

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Excited States of Conjugated Hydrocarbons Using the Molecular Mechanics - Valence Bond (MMVB) Method: Conical Intersections and Dynamics

Theoretical Chemistry Accounts ◽

10.1007/s00214-006-0113-5 ◽

2006 ◽

Vol 116 (4-5) ◽

pp. 670-682 ◽

Cited By ~ 26

Author(s):

Michael J. Bearpark ◽

Martial Boggio-Pasqua ◽

Michael A. Robb ◽

François Ogliaro

Keyword(s):

Molecular Mechanics ◽

Excited States ◽

Valence Bond ◽

Conical Intersections ◽

Conjugated Hydrocarbons

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Demonstrating a New Valence-Bond Interpretation of Conjugation in Polycyclic Conjugated Hydrocarbons with a Single Kekulé Structure

Polycyclic Aromatic Compounds ◽

10.1080/10406638.2015.1028589 ◽

2015 ◽

Vol 36 (4) ◽

pp. 544-553 ◽

Cited By ~ 1

Author(s):

Jerry Ray Dias

Keyword(s):

Valence Bond ◽

Kekulé Structure ◽

Conjugated Hydrocarbons ◽

Polycyclic Conjugated Hydrocarbons

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Search for singlet-triplet bistability or biradicaloid properties in polycyclic conjugated hydrocarbons: a valence-bond analysis

Molecular Physics ◽

10.1080/00268976.2012.742584 ◽

2012 ◽

Vol 111 (6) ◽

pp. 735-751 ◽

Cited By ~ 10

Author(s):

Jerry Ray Dias

Keyword(s):

Valence Bond ◽

Conjugated Hydrocarbons ◽

Polycyclic Conjugated Hydrocarbons

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The valence bond calculations for conjugated hydrocarbons having 24-28 ?-electrons

Journal of Computational Chemistry ◽

10.1002/1096-987x(20000730)21:10<856::aid-jcc4>3.0.co;2-7 ◽

2000 ◽

Vol 21 (10) ◽

pp. 856-869 ◽

Cited By ~ 13

Author(s):

Jian Wu ◽

Yuansheng Jiang

Keyword(s):

Valence Bond ◽

Conjugated Hydrocarbons

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Relative validity of the valence bond theory and of the molecular orbital theory for description of conjugated hydrocarbons

Molecular Physics ◽

10.1080/00268976600100981 ◽

1966 ◽

Vol 11 (2) ◽

pp. 153-159 ◽

Cited By ~ 2

Author(s):

H. Looyenga

Keyword(s):

Molecular Orbital ◽

Valence Bond ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Relative Validity ◽

Valence Bond Theory ◽

Conjugated Hydrocarbons ◽

Bond Theory

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