Calculation of the ground states of dibenzenechromium. The cobalticinium cation. and chromocene by the self-consistent molecular orbital method

E. M. Shustorovich; M. E. Dyatkina

doi:10.1007/bf00744854

Calculation of the ground states of dibenzenechromium. The cobalticinium cation. and chromocene by the self-consistent molecular orbital method

Journal of Structural Chemistry ◽

10.1007/bf00744854 ◽

1961 ◽

Vol 2 (1) ◽

pp. 40-48 ◽

Cited By ~ 8

Author(s):

E. M. Shustorovich ◽

M. E. Dyatkina

Keyword(s):

Molecular Orbital ◽

Ground States ◽

The Self ◽

Orbital Method ◽

Molecular Orbital Method ◽

Self Consistent

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ChemInform Abstract: CALCULATION OF THE ELECTRONIC STRUCTURE OF BORANES BY THE SELF-CONSISTENT MOLECULAR ORBITAL METHOD PART 3, EXCITED STATES OF CAGE SPECIES

Chemischer Informationsdienst ◽

10.1002/chin.197403003 ◽

1974 ◽

Vol 5 (3) ◽

pp. no-no

Author(s):

DAVID R. ARMSTRONG ◽

PETER G. PERKINS ◽

JAMES J. P. STEWART

Keyword(s):

Electronic Structure ◽

Molecular Orbital ◽

Excited States ◽

The Self ◽

Orbital Method ◽

Molecular Orbital Method ◽

Self Consistent

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Calculation of the electronic structure of boranes by the self-consistent molecular orbital method. Part II. Highly symmetrical cage anions

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9730000627 ◽

1973 ◽

pp. 627 ◽

Cited By ~ 15

Author(s):

David R. Armstrong ◽

Peter G. Perkins ◽

James J. P. Stewart

Keyword(s):

Electronic Structure ◽

Molecular Orbital ◽

The Self ◽

Orbital Method ◽

Molecular Orbital Method ◽

Self Consistent

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Calculation of the electronic structure of boranes by the self-consistent molecular orbital method. Part III. Excited states of cage species

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9730002277 ◽

1973 ◽

pp. 2277 ◽

Cited By ~ 10

Author(s):

David R. Armstrong ◽

Peter G. Perkins ◽

James J. P. Stewart

Keyword(s):

Electronic Structure ◽

Molecular Orbital ◽

Excited States ◽

The Self ◽

Orbital Method ◽

Molecular Orbital Method ◽

Self Consistent

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Calculation of the electronic structure of boranes by the self-consistent molecular orbital method. Part I. B10H14 and some neutral chloroboranes

Journal of the Chemical Society A Inorganic Physical Theoretical ◽

10.1039/j19710003674 ◽

1971 ◽

pp. 3674 ◽

Cited By ~ 23

Author(s):

D. R. Armstrong ◽

P. G. Perkins ◽

J. J. Stewart

Keyword(s):

Electronic Structure ◽

Molecular Orbital ◽

The Self ◽

Orbital Method ◽

Molecular Orbital Method ◽

Self Consistent

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Approximate Self-Consistent Molecular Orbital Method and Repulsive Bonding of Monocarbocyclic Π System

Journal of the Chinese Chemical Society ◽

10.1002/jccs.197200003 ◽

1972 ◽

Vol 19 (1) ◽

pp. 19-33 ◽

Cited By ~ 2

Author(s):

Cheng Chen

Keyword(s):

Molecular Orbital ◽

Orbital Method ◽

Molecular Orbital Method ◽

Self Consistent

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Multiconfiguration self-consistent-field theory based upon the fragment molecular orbital method

The Journal of Chemical Physics ◽

10.1063/1.1835954 ◽

2005 ◽

Vol 122 (5) ◽

pp. 054108 ◽

Cited By ~ 91

Author(s):

Dmitri G. Fedorov ◽

Kazuo Kitaura

Keyword(s):

Field Theory ◽

Molecular Orbital ◽

Orbital Method ◽

Molecular Orbital Method ◽

Fragment Molecular Orbital ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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Study of formaldehyde by a ‘self-consistent electronegativity’ molecular–orbital method

Transactions of the Faraday Society ◽

10.1039/tf9585400757 ◽

1958 ◽

Vol 54 (0) ◽

pp. 757-764 ◽

Cited By ~ 122

Author(s):

R. D. Brown ◽

M. L. Heffernan

Keyword(s):

Molecular Orbital ◽

Orbital Method ◽

Molecular Orbital Method ◽

Self Consistent

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STM images of molecules on a metallic surface: a fast calculation based on a self-consistent semiempirical molecular orbital method

Physical Chemistry Chemical Physics ◽

10.1039/b411495g ◽

2004 ◽

Vol 6 (21) ◽

pp. 4913 ◽

Cited By ~ 2

Author(s):

Tohru Kawamoto

Keyword(s):

Molecular Orbital ◽

Metallic Surface ◽

Orbital Method ◽

Molecular Orbital Method ◽

Fast Calculation ◽

Self Consistent ◽

Stm Images ◽

Semiempirical Molecular Orbital

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Theoretical investigation of the dangling bond defects in hydrogenated amorphous silicon (a-Si:H) by the self-consistent-field X-alpha scattered-wave cluster molecular-orbital method

Journal of Non-Crystalline Solids ◽

10.1016/0022-3093(88)90461-9 ◽

1988 ◽

Vol 99 (1) ◽

pp. 97-103 ◽

Cited By ~ 2

Author(s):

C.F. Lo ◽

K.H. Johnson ◽

D. Adler

Keyword(s):

Hydrogenated Amorphous Silicon ◽

Scattered Wave ◽

The Self ◽

Orbital Method ◽

Molecular Orbital Method ◽

Dangling Bond ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Hydrogenated Amorphous

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Acceleration of monomer self-consistent charge process in fragment molecular orbital method

Chem-Bio Informatics Journal ◽

10.1273/cbij.10.24 ◽

2010 ◽

Vol 10 ◽

pp. 24-31

Author(s):

Takeshi Ishikawa ◽

Kazuo Kuwata

Keyword(s):

Molecular Orbital ◽

Orbital Method ◽

Molecular Orbital Method ◽

Fragment Molecular Orbital ◽

Charge Process ◽

Self Consistent

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