A pseudoatom molecular orbital approach to substituent effects in organic Compounds. III. HH coupling constants in substituted ethylenes, ethanes, and benzenes

Gary E Maciel; Mary Severson; Victor M.S Gil

doi:10.1016/0022-2364(81)90173-6

A pseudoatom molecular orbital approach to substituent effects in organic Compounds. III. HH coupling constants in substituted ethylenes, ethanes, and benzenes

Journal of Magnetic Resonance (1969) ◽

10.1016/0022-2364(81)90173-6 ◽

1981 ◽

Vol 44 (2) ◽

pp. 314-329 ◽

Cited By ~ 2

Author(s):

Gary E Maciel ◽

Mary Severson ◽

Victor M.S Gil

Keyword(s):

Organic Compounds ◽

Molecular Orbital ◽

Substituent Effects ◽

Coupling Constants

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A pseudo-atom molecular orbital approach to substituent effects in organic compounds

Molecular Physics ◽

10.1080/00268977200102051 ◽

1972 ◽

Vol 24 (5) ◽

pp. 913-933 ◽

Cited By ~ 13

Author(s):

Kim D. Summerhays ◽

Gary E. Maciel

Keyword(s):

Organic Compounds ◽

Molecular Orbital ◽

Substituent Effects ◽

Pseudo Atom

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Molecular orbital calculations of substituent effects on directly bonded13C-H coupling constants

Molecular Physics ◽

10.1080/00268976800100801 ◽

1968 ◽

Vol 15 (1) ◽

pp. 47-55 ◽

Cited By ~ 40

Author(s):

V.M.S. Gil ◽

J.J.C. Teixeira-Dias

Keyword(s):

Molecular Orbital ◽

Substituent Effects ◽

Coupling Constants ◽

Molecular Orbital Calculations

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Molecular orbital calculations of substituent effects on geminal coupling constants

Molecular Physics ◽

10.1080/00268976800101541 ◽

1968 ◽

Vol 15 (6) ◽

pp. 639-643 ◽

Cited By ~ 18

Author(s):

V.M.S. Gil ◽

S.J.S. Formosinho-Simões

Keyword(s):

Molecular Orbital ◽

Substituent Effects ◽

Coupling Constants ◽

Molecular Orbital Calculations ◽

Geminal Coupling

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Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments

Journal of the American Chemical Society ◽

10.1021/ja00993a001 ◽

1967 ◽

Vol 89 (17) ◽

pp. 4253-4261 ◽

Cited By ~ 944

Author(s):

J. A. Pople ◽

M. Gordon

Keyword(s):

Electronic Structure ◽

Organic Compounds ◽

Molecular Orbital ◽

Dipole Moments ◽

Substituent Effects ◽

Molecular Orbital Theory ◽

Orbital Theory

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Pseudo-atom-molecular orbital approach to substituent effects in organic compounds. I. Spin-spin coupling in substituted methanes

Journal of the American Chemical Society ◽

10.1021/ja00731a039 ◽

1971 ◽

Vol 93 (2) ◽

pp. 520-522 ◽

Cited By ~ 4

Author(s):

Gary E. Maciel ◽

Kim D. Summerhays

Keyword(s):

Organic Compounds ◽

Molecular Orbital ◽

Substituent Effects ◽

Spin Coupling ◽

Spin Spin Coupling ◽

Pseudo Atom

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Comments on ``NMR Fluorine‐Fluorine Coupling Constants in Saturated Organic Compounds''

The Journal of Chemical Physics ◽

10.1063/1.1732644 ◽

1962 ◽

Vol 36 (4) ◽

pp. 1086-1087 ◽

Cited By ~ 9

Author(s):

J. I. Musher

Keyword(s):

Organic Compounds ◽

Coupling Constants

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Nitrogen nuclear quadrupole coupling constants in heterocyclic molecules from ab initio molecular-orbital wavefunctions

Chemical Physics Letters ◽

10.1016/0009-2614(69)85072-4 ◽

1969 ◽

Vol 4 (2) ◽

pp. 75-78 ◽

Cited By ~ 22

Author(s):

E. Kochanski ◽

J.M. Lehn ◽

B. Levy

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Coupling Constants ◽

Heterocyclic Molecules ◽

Quadrupole Coupling ◽

Nuclear Quadrupole

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Transmission of substituent effects in heterocyclic systems. Application of molecular orbital parameters to the solvolysis of 4-substituted 1-(2-furyl)ethyl systems

The Journal of Organic Chemistry ◽

10.1021/jo00981a023 ◽

1972 ◽

Vol 37 (16) ◽

pp. 2623-2625 ◽

Cited By ~ 4

Author(s):

Donald S. Noyce ◽

Hernan J. Pavez

Keyword(s):

Molecular Orbital ◽

Substituent Effects ◽

Orbital Parameters ◽

Substituted 1

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Substituent effects on sulfur-33 chemical shifts and nuclear quadrupole coupling constants in 4-substituted benzene sulfonates

The Journal of Organic Chemistry ◽

10.1021/jo00030a028 ◽

1992 ◽

Vol 57 (4) ◽

pp. 1195-1198 ◽

Cited By ~ 8

Author(s):

Roberta Musio ◽

Oronzo Sciacovelli

Keyword(s):

Chemical Shifts ◽

Substituent Effects ◽

Coupling Constants ◽

Quadrupole Coupling ◽

Nuclear Quadrupole

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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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