Ab Initio MCSCF Study on Electronically Excited Singlet States of Fulvalene Systems:  Energy Component Analysis of the Pseudo-Jahn−Teller Effect

Azumao Toyota; Shiro Koseki

doi:10.1021/jp980567q

Ab Initio MCSCF Study on Electronically Excited Singlet States of Fulvalene Systems: Energy Component Analysis of the Pseudo-Jahn−Teller Effect

The Journal of Physical Chemistry A ◽

10.1021/jp980567q ◽

1998 ◽

Vol 102 (33) ◽

pp. 6668-6675 ◽

Cited By ~ 7

Author(s):

Azumao Toyota ◽

Shiro Koseki

Keyword(s):

Ab Initio ◽

Component Analysis ◽

Teller Effect ◽

Excited Singlet ◽

Energy Component ◽

Singlet States ◽

Electronically Excited ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Excited Singlet States

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Energy Component Analysis of the Pseudo-Jahn−Teller Effect in the Ground and Electronically Excited States of the Cyclic Conjugated Hydrocarbons: Cyclobutadiene, Benzene, and Cyclooctatetraene

The Journal of Physical Chemistry A ◽

10.1021/jp970615r ◽

1997 ◽

Vol 101 (31) ◽

pp. 5712-5718 ◽

Cited By ~ 23

Author(s):

Shiro Koseki ◽

Azumao Toyota

Keyword(s):

Excited States ◽

Component Analysis ◽

Teller Effect ◽

Energy Component ◽

Electronically Excited States ◽

Conjugated Hydrocarbons ◽

Electronically Excited ◽

Jahn Teller ◽

Jahn Teller Effect

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Ab initio MCSCF study on several azide molecules: energy component analysis of the pseudo-Jahn–Teller effect

RSC Advances ◽

10.1039/c3ra41103f ◽

2013 ◽

Vol 3 (27) ◽

pp. 10775 ◽

Cited By ~ 5

Author(s):

Azumao Toyota ◽

Takashi Muramatsu ◽

Shiro Koseki

Keyword(s):

Ab Initio ◽

Component Analysis ◽

Teller Effect ◽

Energy Component ◽

Jahn Teller ◽

Jahn Teller Effect

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The structure of 5-cyanoindole in the ground and the lowest electronically excited singlet states, deduced from rotationally resolved electronic spectroscopy and ab initio theory

Physical Chemistry Chemical Physics ◽

10.1039/c2cp41094j ◽

2012 ◽

Vol 14 (29) ◽

pp. 10266 ◽

Cited By ~ 20

Author(s):

Olivia Oeltermann ◽

Christian Brand ◽

Bernd Engels ◽

Jörg Tatchen ◽

Michael Schmitt

Keyword(s):

Ab Initio ◽

Electronic Spectroscopy ◽

Excited Singlet ◽

Singlet States ◽

Ab Initio Theory ◽

Electronically Excited ◽

Excited Singlet States

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Energy component analysis of the Jahn–Teller effect in the methane radical cation

The Journal of Chemical Physics ◽

10.1063/1.460142 ◽

1991 ◽

Vol 94 (12) ◽

pp. 8083-8088 ◽

Cited By ~ 20

Author(s):

Russell J. Boyd ◽

Katherine Valenta Darvesh ◽

Paul D. Fricker

Keyword(s):

Radical Cation ◽

Component Analysis ◽

Teller Effect ◽

Energy Component ◽

Jahn Teller ◽

Jahn Teller Effect

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ChemInform Abstract: Energy Component Analysis of the Pseudo-Jahn-Teller Effect in the Bicyclic Nonalternant Hydrocarbons: The Pentalenoid and Heptalenoid Systems

ChemInform ◽

10.1002/chin.199623042 ◽

2010 ◽

Vol 27 (23) ◽

pp. no-no

Author(s):

A. TOYOTA ◽

S. KOSEKI

Keyword(s):

Component Analysis ◽

Teller Effect ◽

Energy Component ◽

Jahn Teller ◽

Jahn Teller Effect

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Energy Component Analysis of the Pseudo-Jahn−Teller Effect in the Ground State of the Triafulvalene Anion, Pentafulvalene Cation, and Heptafulvalene Anion Radicals

The Journal of Physical Chemistry A ◽

10.1021/jp972858p ◽

1998 ◽

Vol 102 (2) ◽

pp. 490-495 ◽

Cited By ~ 6

Author(s):

Azumao Toyota ◽

Shiro Koseki

Keyword(s):

Ground State ◽

Component Analysis ◽

Teller Effect ◽

Energy Component ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Anion Radicals

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Energy Component Analysis of the Pseudo-Jahn−Teller Effect in the Bicyclic Nonalternant Hydrocarbons: The Pentalenoid and Heptalenoid Systems

The Journal of Physical Chemistry ◽

10.1021/jp952459z ◽

1996 ◽

Vol 100 (6) ◽

pp. 2100-2106 ◽

Cited By ~ 13

Author(s):

Azumao Toyota ◽

Shiro Koseki

Keyword(s):

Component Analysis ◽

Teller Effect ◽

Energy Component ◽

Jahn Teller ◽

Jahn Teller Effect

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Multiconfiguration Self-Consistent Field Study on Formonitrile Imine and N-Substituted Nitrile Imines HCN2–R: Energy Component Analysis of the Pseudo-Jahn–Teller Effect

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.7b01718 ◽

2017 ◽

Vol 121 (11) ◽

pp. 2298-2310 ◽

Cited By ~ 2

Author(s):

Azumao Toyota ◽

Takashi Muramatsu ◽

Shiro Koseki

Keyword(s):

Field Study ◽

Component Analysis ◽

Teller Effect ◽

Energy Component ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Nitrile Imines

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ChemInform Abstract: Energy Component Analysis of the Jahn-Teller Effect in the Methane Radical Cation.

ChemInform ◽

10.1002/chin.199139054 ◽

2010 ◽

Vol 22 (39) ◽

pp. no-no

Author(s):

R. J. BOYD ◽

K. V. DARVESH ◽

P. D. FRICKER

Keyword(s):

Radical Cation ◽

Component Analysis ◽

Teller Effect ◽

Energy Component ◽

Jahn Teller ◽

Jahn Teller Effect

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Energy Component Analysis of the Pseudo Jahn-Teller Effect in Pentalene and Heptalene

Chemistry Letters ◽

10.1246/cl.1992.791 ◽

1992 ◽

Vol 21 (5) ◽

pp. 791-794 ◽

Cited By ~ 4

Author(s):

Azumao Toyota ◽

Masahiro Kataoka ◽

Shiro Koseki

Keyword(s):

Component Analysis ◽

Teller Effect ◽

Energy Component ◽

Jahn Teller ◽

Jahn Teller Effect

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