Molecular orbital theory of the electronic structure of organic compounds. XIII. Fourier component analysis of internal rotation potential functions in saturated molecules

Leo Radom; Warren J. Hehre; John A. Pople

doi:10.1021/ja00762a030

Molecular orbital theory of the electronic structure of organic compounds. XIII. Fourier component analysis of internal rotation potential functions in saturated molecules

Journal of the American Chemical Society ◽

10.1021/ja00762a030 ◽

1972 ◽

Vol 94 (7) ◽

pp. 2371-2381 ◽

Cited By ~ 344

Author(s):

Leo Radom ◽

Warren J. Hehre ◽

John A. Pople

Keyword(s):

Electronic Structure ◽

Internal Rotation ◽

Organic Compounds ◽

Molecular Orbital ◽

Component Analysis ◽

Fourier Component ◽

Potential Functions ◽

Molecular Orbital Theory ◽

Orbital Theory

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Molecular orbital theory of the electronic structure of organic compounds. IV. Internal rotation in hydrocarbons using a minimal Slater-type basis

Journal of the American Chemical Society ◽

10.1021/ja00719a005 ◽

1970 ◽

Vol 92 (16) ◽

pp. 4786-4795 ◽

Cited By ~ 217

Author(s):

L. Radom ◽

John A. Pople

Keyword(s):

Electronic Structure ◽

Internal Rotation ◽

Organic Compounds ◽

Molecular Orbital ◽

Molecular Orbital Theory ◽

Slater Type ◽

Orbital Theory

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Molecular orbital theory of the electronic structure of organic compounds. XVII. Internal rotation in 1,2-disubstituted ethanes

Journal of the American Chemical Society ◽

10.1021/ja00784a008 ◽

1973 ◽

Vol 95 (3) ◽

pp. 693-698 ◽

Cited By ~ 193

Author(s):

Leo. Radom ◽

William A. Lathan ◽

Warren J. Hehre ◽

John A. Pople

Keyword(s):

Electronic Structure ◽

Internal Rotation ◽

Organic Compounds ◽

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory

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ChemInform Abstract: MOLECULAR ORBITAL THEORY OF THE ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS PART 24, GEOMETRIES AND ENERGIES OF SMALL BORON COMPOUNDS, COMPARISONS WITH CARBOCATIONS

Chemischer Informationsdienst ◽

10.1002/chin.197534295 ◽

1975 ◽

Vol 6 (34) ◽

pp. no-no

Author(s):

J. D. DILL ◽

PAUL VON R. SCHLEYER ◽

J. A. POPLE

Keyword(s):

Electronic Structure ◽

Organic Compounds ◽

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Boron Compounds

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Molecular orbital theory of the electronic structure of organic compounds. XI. Geometries and energies of C3H7+cations

Journal of the American Chemical Society ◽

10.1021/ja00757a001 ◽

1972 ◽

Vol 94 (2) ◽

pp. 311-321 ◽

Cited By ~ 77

Author(s):

L. Radom ◽

J. A. Pople ◽

V. Buss ◽

P. v. R. Schleyer

Keyword(s):

Electronic Structure ◽

Organic Compounds ◽

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory

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ChemInform Abstract: MOLECULAR ORBITAL THEORY OF THE ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS. 28. EOMETRIES AND ENERGIES OF SINGLET AND TRIPLET STATES OF THE C3 2 HYDROCARBONS

Chemischer Informationsdienst ◽

10.1002/chin.197641080 ◽

1976 ◽

Vol 7 (41) ◽

pp. no-no

Author(s):

W. J. HEHRE ◽

J. A. POPLE ◽

W. A. LATHAN ◽

L. RADOM ◽

E. WASSERMAN ◽

...

Keyword(s):

Electronic Structure ◽

Organic Compounds ◽

Molecular Orbital ◽

Triplet States ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Singlet And Triplet States

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Molecular orbital theory of the electronic structure of organic compounds. 28. Geometries and energies of singlet and triplet states of the C3H2 hydrocarbons

Journal of the American Chemical Society ◽

10.1021/ja00431a005 ◽

1976 ◽

Vol 98 (15) ◽

pp. 4378-4383 ◽

Cited By ~ 81

Author(s):

W. J. Hehre ◽

J. A. Pople ◽

W. A. Lathan ◽

L. Radom ◽

E. Wasserman ◽

...

Keyword(s):

Electronic Structure ◽

Organic Compounds ◽

Molecular Orbital ◽

Triplet States ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Singlet And Triplet States

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ChemInform Abstract: MOLECULAR ORBITAL THEORY OF THE ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS. 25. ONFORMATIONS OF METHYL- AND FLUORO-SUBSTITUTED CYCLOPENTANES A D CYCLOHEXANES

Chemischer Informationsdienst ◽

10.1002/chin.197705067 ◽

1977 ◽

Vol 8 (5) ◽

pp. no-no

Author(s):

D. CREMER ◽

J. S. BINKLEY ◽

J. A. POPLE

Keyword(s):

Electronic Structure ◽

Organic Compounds ◽

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory

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Molecular orbital theory of the electronic structure of organic compounds. XII. Conformations, stabilities, and charge distributions in monosubstituted benzenes

Journal of the American Chemical Society ◽

10.1021/ja00760a011 ◽

1972 ◽

Vol 94 (5) ◽

pp. 1496-1504 ◽

Cited By ~ 259

Author(s):

Warren J. Hehre ◽

Leo Radom ◽

John A. Pople

Keyword(s):

Electronic Structure ◽

Organic Compounds ◽

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Charge Distributions ◽

Monosubstituted Benzenes

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Molecular orbital theory of the electronic structure of organic compounds. X. Systematic study of geometries and energies of AHn molecules and cations

Journal of the American Chemical Society ◽

10.1021/ja00753a007 ◽

1971 ◽

Vol 93 (24) ◽

pp. 6377-6387 ◽

Cited By ~ 419

Author(s):

W. A. Lathan ◽

W. J. Hehre ◽

L. A. Curtiss ◽

J. A. Pople

Keyword(s):

Electronic Structure ◽

Organic Compounds ◽

Molecular Orbital ◽

Systematic Study ◽

Molecular Orbital Theory ◽

Orbital Theory

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Molecular orbital theory of the electronic structure of organic compounds. XXVI. Geometries, energies and polarities of C4 hydrocarbons

Journal of the American Chemical Society ◽

10.1021/ja00857a002 ◽

1975 ◽

Vol 97 (24) ◽

pp. 6941-6955 ◽

Cited By ~ 166

Author(s):

Warren J. Hehre ◽

John A. Pople

Keyword(s):

Electronic Structure ◽

Organic Compounds ◽

Molecular Orbital ◽

Molecular Orbital Theory ◽

Orbital Theory

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