On the triplet instability in semiempiricalRPA calculations of conjugated hydrocarbons

B. Guha Niyogi; A. B. Sannigrahi

doi:10.1002/qua.560140313

On the triplet instability in semiempiricalRPA calculations of conjugated hydrocarbons

International Journal of Quantum Chemistry ◽

10.1002/qua.560140313 ◽

1978 ◽

Vol 14 (3) ◽

pp. 337-340 ◽

Cited By ~ 2

Author(s):

B. Guha Niyogi ◽

A. B. Sannigrahi

Keyword(s):

Conjugated Hydrocarbons ◽

Triplet Instability

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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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Valency-bond studies of some conjugated hydrocarbons - III: Calculations on heptalene

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19640830717 ◽

2010 ◽

Vol 83 (7) ◽

pp. 764-767 ◽

Cited By ~ 2

Author(s):

P. C. den Boer ◽

D. H. W. den Boer ◽

T. H. Goodwin

Keyword(s):

Conjugated Hydrocarbons ◽

Valency Bond

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Conformational analysis. 122. Heats of formation of conjugated hydrocarbons by the force field method

Journal of the American Chemical Society ◽

10.1021/ja00446a001 ◽

1977 ◽

Vol 99 (4) ◽

pp. 975-986 ◽

Cited By ~ 118

Author(s):

James Kao ◽

Norman L. Allinger

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Field Method ◽

Heats Of Formation ◽

Conjugated Hydrocarbons

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A molecular orbital study on the electron donating and accepting abilities of non-alternant polycyclic conjugated hydrocarbons

Tetrahedron ◽

10.1016/s0040-4020(01)87857-1 ◽

1990 ◽

Vol 46 (19) ◽

pp. 6659-6672 ◽

Cited By ~ 6

Author(s):

Yuriko Aoki ◽

Akira Imamura ◽

Ichiro Murata

Keyword(s):

Molecular Orbital ◽

Conjugated Hydrocarbons ◽

Molecular Orbital Study ◽

Orbital Study ◽

Polycyclic Conjugated Hydrocarbons

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A Modification of Koopmans' Theorem for Conjugated Hydrocarbons

The Journal of Chemical Physics ◽

10.1063/1.1731310 ◽

1960 ◽

Vol 33 (3) ◽

pp. 946-947 ◽

Cited By ~ 32

Author(s):

J. R. Hoyland ◽

Lionel Goodman

Keyword(s):

Conjugated Hydrocarbons ◽

Koopmans Theorem

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ChemInform Abstract: CONFORMATIONS OF CONJUGATED HYDROCARBONS. PART 2. A SPECTROSCOPIC AND THERMODYNAMIC STUDY OF CIS- AND TRANS-PENTA-1,3-DIENE

Chemischer Informationsdienst ◽

10.1002/chin.197746053 ◽

1977 ◽

Vol 8 (46) ◽

pp. no-no

Author(s):

D. A. C. COMPTON ◽

W. O. GEORGE ◽

W. F. MADDAMS

Keyword(s):

Thermodynamic Study ◽

Conjugated Hydrocarbons ◽

Cis And Trans

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Calculations on the ions and lowest π triplet states of some conjugated hydrocarbons

Molecular Physics ◽

10.1080/00268976200100101 ◽

1962 ◽

Vol 5 (1) ◽

pp. 91-104 ◽

Cited By ~ 67

Author(s):

A.T. Amos

Keyword(s):

Triplet States ◽

Conjugated Hydrocarbons

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Electronic Structure and Photophysical Properties of Planar Conjugated Hydrocarbons with 4n-Membered Rings. I. Photoelectron Spectra of 1,5,9-Tridehydro[12]-annulene and Related Compounds

Helvetica Chimica Acta ◽

10.1002/hlca.19760590525 ◽

1976 ◽

Vol 59 (5) ◽

pp. 1647-1655 ◽

Cited By ~ 16

Author(s):

Jakob Wirz

Keyword(s):

Electronic Structure ◽

Photophysical Properties ◽

Photoelectron Spectra ◽

Conjugated Hydrocarbons ◽

Related Compounds

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Resonance energies of large conjugated hydrocarbons by a statistical method

International Journal of Quantum Chemistry ◽

10.1002/qua.560320106 ◽

1987 ◽

Vol 32 (1) ◽

pp. 35-59 ◽

Cited By ~ 16

Author(s):

Milan Randi? ◽

Vasanth Solomon ◽

Stuart C. Grossman ◽

Douglas J. Klein ◽

Nenad Trinajsti

Keyword(s):

Statistical Method ◽

Conjugated Hydrocarbons ◽

Resonance Energies

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Structural Issues in Conjugated Hydrocarbons: High-Resolution Infrared Slit-Jet Spectroscopy oftrans-1,3-Butadiene

The Journal of Physical Chemistry A ◽

10.1021/jp037703y ◽

2004 ◽

Vol 108 (16) ◽

pp. 3367-3372 ◽

Cited By ~ 8

Author(s):

Marjo Halonen ◽

Lauri Halonen ◽

David J. Nesbitt

Keyword(s):

High Resolution ◽

Conjugated Hydrocarbons

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