Electron states of benzene–Br2 donor–acceptor complex: HeI photoelectron spectroscopy and ab initio molecular orbital study

S. P. Ananthavel; M. S. Hegde

doi:10.1063/1.472258

Electron states of benzene–Br2 donor–acceptor complex: HeI photoelectron spectroscopy and ab initio molecular orbital study

The Journal of Chemical Physics ◽

10.1063/1.472258 ◽

1996 ◽

Vol 105 (10) ◽

pp. 4395-4396 ◽

Cited By ~ 2

Author(s):

S. P. Ananthavel ◽

M. S. Hegde

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Photoelectron Spectroscopy ◽

Electron States ◽

Acceptor Complex ◽

Molecular Orbital Study ◽

Orbital Study ◽

Donor Acceptor

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Electron donor–acceptor complex of ICl with diethyl ether. He I photoelectron spectroscopy and ab initio molecular orbital study

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9969201677 ◽

1996 ◽

Vol 92 (10) ◽

pp. 1677-1679 ◽

Cited By ~ 3

Author(s):

Sundaravel P. Ananthavel ◽

V. Jayaram ◽

Manjanath S. Hegde

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Diethyl Ether ◽

Electron Donor ◽

Photoelectron Spectroscopy ◽

Acceptor Complex ◽

Molecular Orbital Study ◽

Orbital Study ◽

Donor Acceptor

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A molecular orbital study on the (CH3)2O-BH3 donor-acceptor complex.

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.28.1633 ◽

1980 ◽

Vol 28 (5) ◽

pp. 1633-1636 ◽

Cited By ~ 1

Author(s):

HIDEAKI UMEYAMA

Keyword(s):

Molecular Orbital ◽

Acceptor Complex ◽

Molecular Orbital Study ◽

Orbital Study ◽

Donor Acceptor

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Electronic Structure of Bis(2,4-pentanedionato-O,O‘)oxovanadium(IV). A Photoelectron Spectroscopy, Electronic Spectroscopy, and ab Initio Molecular Orbital Study

Inorganic Chemistry ◽

10.1021/ic951457q ◽

1996 ◽

Vol 35 (13) ◽

pp. 3885-3890 ◽

Cited By ~ 19

Author(s):

Santo Di Bella ◽

Giuseppe Lanza ◽

Antonino Gulino ◽

Ignazio Fragalà

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Molecular Orbital ◽

Photoelectron Spectroscopy ◽

Electronic Spectroscopy ◽

Molecular Orbital Study ◽

Orbital Study

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ChemInform Abstract: Ab initio Molecular Orbital Study of Nitrogen-Containing Polyenes with Donor-Acceptor Substituents: Dipole Moment and Static First Hyperpolarizability.

ChemInform ◽

10.1002/chin.199314030 ◽

2010 ◽

Vol 24 (14) ◽

pp. no-no

Author(s):

T. TSUNEKAWA ◽

K. YAMAGUCHI

Keyword(s):

Dipole Moment ◽

Ab Initio ◽

Molecular Orbital ◽

First Hyperpolarizability ◽

Molecular Orbital Study ◽

Orbital Study ◽

Donor Acceptor

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Ab initio molecular orbital study of nitrogen-containing polyenes with donor-acceptor substituents: dipole moment and static first hyperpolarizability

The Journal of Physical Chemistry ◽

10.1021/j100204a033 ◽

1992 ◽

Vol 96 (25) ◽

pp. 10268-10275 ◽

Cited By ~ 31

Author(s):

Tetsuya Tsunekawa ◽

Kizashi Yamaguchi

Keyword(s):

Dipole Moment ◽

Ab Initio ◽

Molecular Orbital ◽

First Hyperpolarizability ◽

Molecular Orbital Study ◽

Orbital Study ◽

Donor Acceptor

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ChemInform Abstract: AN AB INITIO MOLECULAR ORBITAL STUDY OF STRUCTURES AND ENERGIES OF SPIRO COMPOUNDS- SPIROPENTANE, SPIROPENTENE, SPIROPENTADIENE, SPIRO(2.4)HEPTA-4,6-DIENE, SPIRO(2.4)HEPTATRIENE, AND SPIRO(4.4)NONATETRAENE

Chemischer Informationsdienst ◽

10.1002/chin.197820069 ◽

1978 ◽

Vol 9 (20) ◽

Author(s):

J. KAO ◽

L. RADOM

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Spiro Compounds ◽

Molecular Orbital Study ◽

Orbital Study

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An ab initio molecular orbital study of the first step of the catalytic mechanism of thymidylate synthase: the Michael addition of sulfur and oxygen nucleophiles

The Journal of Organic Chemistry ◽

10.1021/jo00131a012 ◽

1995 ◽

Vol 60 (26) ◽

pp. 8375-8381 ◽

Cited By ~ 9

Author(s):

Bert E. Thomas ◽

Peter A. Kollman

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Thymidylate Synthase ◽

Michael Addition ◽

Catalytic Mechanism ◽

Molecular Orbital Study ◽

Orbital Study ◽

The Michael Addition

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Ab initio molecular orbital study of the gallium arsenide hydrides

The Journal of Physical Chemistry ◽

10.1021/j100173a022 ◽

1991 ◽

Vol 95 (20) ◽

pp. 7668-7673 ◽

Cited By ~ 12

Author(s):

Charles W. Bock ◽

Kerwin D. Dobbs ◽

Gilbert J. Mains ◽

Mendel Trachtman

Keyword(s):

Gallium Arsenide ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

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Structures and stabilities of C6H3⨥6 isomers: an ab initio molecular orbital study

Chemical Physics Letters ◽

10.1016/0009-2614(85)80933-7 ◽

1985 ◽

Vol 113 (2) ◽

pp. 145-150 ◽

Cited By ~ 7

Author(s):

Wolfram Koch ◽

Helmut Schwarz

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

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ab initio Molecular orbital study of disulphur dinitride, S2N2

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39760000701 ◽

1976 ◽

pp. 701 ◽

Cited By ~ 6

Author(s):

M. P. S. Collins ◽

B. J. Duke

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

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