Self-consistent field molecular orbital calculation for anthranil, benzisoxazole, and benzoxazole

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(69)90218-5 ◽

1969 ◽

Vol 32 (2) ◽

pp. 242-246 ◽

Author(s):

Susan D. Carson ◽

Herbert M. Rosenberg

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Semi-empirical Self-consistent Field Molecular Orbital Calculation of the Electronic Structure of the Base Components of Nucleic Acids

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.38.1638 ◽

1965 ◽

Vol 38 (10) ◽

pp. 1638-1645 ◽

Author(s):

Chikayoshi Nagata ◽

Akira Imamura ◽

Yusaku Tagashira ◽

Masahiko Kodama

Keyword(s):

Electronic Structure ◽

Nucleic Acids ◽

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

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Ab initio self-consistent field molecular-orbital calculation of the ground state of tetranitratotitanium(IV); comments on the reactivity of anhydrous metal nitrates

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9750001934 ◽

1975 ◽

pp. 1934 ◽

Author(s):

C. David Garner ◽

Ian H. Hillier ◽

Martyn F. Guest

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Ground State ◽

Molecular Orbital Calculation ◽

Consistent Field ◽

Metal Nitrates ◽

Self Consistent ◽

Self Consistent Field

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Semi-empirical Self-consistent Field Molecular Orbital Calculation of Transition Energy and Oscillator Strength for the Stacked Complexes of Pyrene and 3,4-Benzopyrene with DNA Bases

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.40.2564 ◽

1967 ◽

Vol 40 (11) ◽

pp. 2564-2568 ◽

Author(s):

Chikayoshi Nagata ◽

Hiroko Fujita ◽

Akira Imamura

Keyword(s):

Oscillator Strength ◽

Molecular Orbital ◽

Transition Energy ◽

Molecular Orbital Calculation ◽

Dna Bases ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

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ChemInform Abstract: AB INITIO SELF-CONSISTENT FIELD MOLECULAR-ORBITAL CALCULATION OF THE GROUND STATE OF TETRANITRATOTITANIUM(IV), COMMENTS ON THE REACTIVITY OF ANHYDROUS METAL NITRATES

Chemischer Informationsdienst ◽

10.1002/chin.197552001 ◽

1975 ◽

Vol 6 (52) ◽

pp. no-no

Author(s):

C. DAVID GARNER ◽

IAN H. HILLIER ◽

MARTYN F. GUEST

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Ground State ◽

Molecular Orbital Calculation ◽

Consistent Field ◽

Metal Nitrates ◽

Self Consistent ◽

Self Consistent Field

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Approximate Self-consistent Field Molecular Orbital Calculation on Trithiadiborolane, Dichlorotrithiadiborolane, Dimethyltrithiadiborolane, Trioxadiborolane, Dichlorotrioxadiborolane, and Dimethyltrioxadiborolane.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.27-3079 ◽

1973 ◽

Vol 27 ◽

pp. 3079-3084 ◽

Author(s):

Odd Gropen ◽

Per Vassbotn ◽

Ulf Wennström ◽

Inger Wennberg ◽

A. Hugh Norbury ◽

...

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Self consistent field molecular orbital calculation for aniline

Tetrahedron Letters ◽

10.1016/0040-4039(64)83065-3 ◽

1964 ◽

Vol 5 (40) ◽

pp. 2933-2936 ◽

Author(s):

S. Kwiatkowski ◽

W. Woźnicki

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Self consistent field molecular orbital calculation for pyrrole

Theoretica Chimica Acta ◽

10.1007/bf00526871 ◽

1963 ◽

Vol 1 (3) ◽

pp. 199-205 ◽

Author(s):

J. P. Dahl ◽

Aage E. Hansen

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Semi-empirical Self-consistent Field Molecular Orbital Calculation of the Electronic Structure of the Base Pairs of Deoxyribonucleic Acid

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.40.522 ◽

1967 ◽

Vol 40 (3) ◽

pp. 522-526 ◽

Author(s):

Akira Imamura ◽

Hiroko Fujita ◽

Chikayoshi Nagata

Keyword(s):

Electronic Structure ◽

Molecular Orbital ◽

Deoxyribonucleic Acid ◽

Molecular Orbital Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

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A semi-empirical self consistent field molecular orbital calculation on pyridine and pyridinium ion including all valence electrons

Journal of the Chemical Society A Inorganic Physical Theoretical ◽

10.1039/j19680001387 ◽

1968 ◽

pp. 1387 ◽

Author(s):

J. W. Emsley

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Consistent Field ◽

Valence Electrons ◽

Self Consistent ◽

Self Consistent Field ◽

Semi Empirical ◽

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ChemInform Abstract: APPROXIMATE SELF-CONSISTENT FIELD MOLECULAR ORBITAL CALCULATION ON TRITHIADIBOROLANE, DICHLOROTRITHIADIBOROLANE, DIMETHYLTRITHIADIBOROLANE, TRIOXADIBOROLANE, DICHLOROTRIOXADIBOROLANE, AND DIMETHYLTRIOXADIBOROLANE

Chemischer Informationsdienst ◽

10.1002/chin.197413327 ◽

1974 ◽

Vol 5 (13) ◽

Author(s):

ODD GROPEN ◽

PER VASSBOTN

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Calculation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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