Semiempirical SCF—LCAO—MO Calculation of the Electronic Structure of the Guanine—Cytosine Base Pair: Possible Interpretation of the Mutagenic Effect of Radiation

The Journal of Chemical Physics ◽

10.1063/1.1725548 ◽

1964 ◽

Vol 40 (9) ◽

pp. 2466-2470 ◽

Author(s):

Robert Rein ◽

Janos Ladik

Keyword(s):

Electronic Structure ◽

Base Pair ◽

Mutagenic Effect ◽

Mo Calculation ◽

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The INDO and CNDO/2 SCF LCAO MO Calculation of Intermodular Forces and Their Pairwise Additivity

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.47.40 ◽

1974 ◽

Vol 47 (1) ◽

pp. 40-44 ◽

Author(s):

Masao Hashimoto ◽

Taro Isobe

Keyword(s):

Mo Calculation ◽

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An ab initio SCF-LCAO-MO study of the electronic structure of borazane, BH3NH3

Journal of Molecular Structure ◽

10.1016/0022-2860(69)87009-2 ◽

1969 ◽

Vol 3 (3) ◽

pp. 244-246 ◽

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

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Nitrogen inversion barriers and electronic structure of fluoramine and cyanamide: ab initio SCF–LCAO–MO study

Journal of the Chemical Society D Chemical Communications ◽

10.1039/c29700001062 ◽

1970 ◽

Vol 0 (17) ◽

pp. 1062-1063 ◽

Author(s):

J. M. Lehn ◽

B. Munsch

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Nitrogen Inversion ◽

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Study of the electronic structure of the ions CO2+ and N2O+ by the LCAO-MO-SCF method

Journal of Physics B Atomic and Molecular Physics ◽

10.1088/0022-3700/2/12/302 ◽

1969 ◽

Vol 2 (12) ◽

pp. 1261-1270 ◽

Author(s):

J A Horsley ◽

W H Fink

Keyword(s):

Electronic Structure ◽

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An Interpretation of Mass Spectra of Disubstituted Benzenes by Simple LCAO MO Calculation. I

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.44.884 ◽

1971 ◽

Vol 44 (4) ◽

pp. 884-887 ◽

Author(s):

Susumu Tajima ◽

Nobuhide Wasada ◽

Toshikazu Tsuchiya

Keyword(s):

Mass Spectra ◽

Mo Calculation ◽

Simple Lcao ◽

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The LCAO-MO calculation of the rare-earth crystal field parameters

Czechoslovak Journal of Physics ◽

10.1007/bf01725981 ◽

1971 ◽

Vol 21 (3) ◽

pp. 295-302 ◽

Author(s):

J. Málek

Keyword(s):

Crystal Field ◽

Mo Calculation ◽

Crystal Field Parameters ◽

Lcao Mo ◽

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Electronic structure and inversion barrier of phosphine. An ab initio SCF–LCAO–MO study

Journal of the Chemical Society D Chemical Communications ◽

10.1039/c29690001327 ◽

1969 ◽

Vol 0 (22) ◽

pp. 1327-1329 ◽

Author(s):

J. M. Lehn ◽

B. Munsch

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Inversion Barrier ◽

And Inversion ◽

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Comparison of the electronic structure of borazine and boroxine: an ab initio SCF-LCAO-MO study

Journal of Molecular Structure ◽

10.1016/0022-2860(75)80076-7 ◽

1975 ◽

Vol 26 (1) ◽

pp. 129-132 ◽

Author(s):

A. Serafini ◽

J.F. Labarre

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

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Some ab initio LCAO-MO-SCF studies of the electronic structure of cyclopropaneag]

Tetrahedron ◽

10.1016/s0040-4020(01)98151-7 ◽

1971 ◽

Vol 27 (19) ◽

pp. 4377-4386 ◽

Author(s):

H. Marsmann ◽

J.-B. Robert ◽

J.R. Van Wazer

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

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Rotational Barrier and Electronic Structure of Monomethylphosphine from Ab Initio LCAO–MO–SCF Calculations

The Journal of Chemical Physics ◽

10.1063/1.1677360 ◽

1972 ◽

Vol 56 (3) ◽

pp. 1284-1289 ◽

Author(s):

Ilyas Absar ◽

John R. Van Wazer

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Rotational Barrier ◽

Scf Calculations ◽

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