.omega.-Type calculations on .pi.-electron systems with inclusion of overlap charges. III. .pi.-Bond energies, heats of formation, and resonance energies of conjugated hydrocarbons

S.P. Gupta; B. Krishna

doi:10.1021/ja00756a010

.omega.-Type calculations on .pi.-electron systems with inclusion of overlap charges. III. .pi.-Bond energies, heats of formation, and resonance energies of conjugated hydrocarbons

Journal of the American Chemical Society ◽

10.1021/ja00756a010 ◽

1972 ◽

Vol 94 (1) ◽

pp. 57-60 ◽

Cited By ~ 7

Author(s):

S.P. Gupta ◽

B. Krishna

Keyword(s):

Heats Of Formation ◽

Electron Systems ◽

Bond Energies ◽

Conjugated Hydrocarbons ◽

Resonance Energies

Download Full-text

A New Version of Inclusion of Overlap Charges in ω-Technique. π-Bond Energies, Heats of Formation, and Resonance Energies of Conjugated Hydrocarbons

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.57.1401 ◽

1984 ◽

Vol 57 (5) ◽

pp. 1401-1404

Author(s):

Vindhya Prasad Tewari ◽

Krishna Behari Lal ◽

Arun Kumar Srivastava

Keyword(s):

Heats Of Formation ◽

Bond Energies ◽

Conjugated Hydrocarbons ◽

Resonance Energies

Download Full-text

ChemInform Abstract: AN IMPROVED IOC-OMEGA TECHNIQUE PART 1, IONIZATION POTENTIALS AND ELECTRON AFFINITIES OF SOME MOLECULES PART 2, PI-BOND ENERGIES, HEATS OF FORMATION AND RESONANCE ENERGIES OF ALTERNANT AND NON-ALTERNANT HYDROCARBONS

Chemischer Informationsdienst ◽

10.1002/chin.197508092 ◽

1975 ◽

Vol 6 (8) ◽

pp. no-no

Author(s):

S. C. SHARMA ◽

A. K. SRIVASTAVA ◽

B. KRISHNA

Keyword(s):

Ionization Potentials ◽

Heats Of Formation ◽

Electron Affinities ◽

Bond Energies ◽

Resonance Energies ◽

Alternant Hydrocarbons

Download Full-text

An improved IOC-ω technique. Part 2.—π-Bond energies, heats of formation and resonance energies of alternant and non-alternant hydrocarbons

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29757100172 ◽

1975 ◽

Vol 71 (0) ◽

pp. 172-176

Author(s):

S. C. Sharma ◽

A. K. Srivastava ◽

B. Krishna

Keyword(s):

Heats Of Formation ◽

Bond Energies ◽

Resonance Energies ◽

Alternant Hydrocarbons

Download Full-text

Conformational analysis. 122. Heats of formation of conjugated hydrocarbons by the force field method

Journal of the American Chemical Society ◽

10.1021/ja00446a001 ◽

1977 ◽

Vol 99 (4) ◽

pp. 975-986 ◽

Cited By ~ 118

Author(s):

James Kao ◽

Norman L. Allinger

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Field Method ◽

Heats Of Formation ◽

Conjugated Hydrocarbons

Download Full-text

TPEPICO Spectroscopy of Vinyl Chloride and Vinyl Iodide: Neutral and Ionic Heats of Formation and Bond Energies

The Journal of Physical Chemistry A ◽

10.1021/jp8007255 ◽

2008 ◽

Vol 112 (25) ◽

pp. 5647-5652 ◽

Cited By ~ 10

Author(s):

Nicholas S. Shuman ◽

Melony A. Ochieng ◽

Bálint Sztáray ◽

Tomas Baer

Keyword(s):

Vinyl Chloride ◽

Heats Of Formation ◽

Bond Energies ◽

Vinyl Iodide

Download Full-text

Resonance energies of large conjugated hydrocarbons by a statistical method

International Journal of Quantum Chemistry ◽

10.1002/qua.560320106 ◽

1987 ◽

Vol 32 (1) ◽

pp. 35-59 ◽

Cited By ~ 16

Author(s):

Milan Randi? ◽

Vasanth Solomon ◽

Stuart C. Grossman ◽

Douglas J. Klein ◽

Nenad Trinajsti

Keyword(s):

Statistical Method ◽

Conjugated Hydrocarbons ◽

Resonance Energies

Download Full-text

Heats of formation and crystal structures of some group 3 tetrahalides. N[MX4](c) (N = cesium or sodium, M = aluminum or gallium, and X = chlorine or bromine) and [(C6H5)4As][MCl4](c) (M = gallium or indium. Donor-acceptor bond energies for MX3-X- where M = Al, Ga, or In, and X = Cl or Br

Inorganic Chemistry ◽

10.1021/ic50152a022 ◽

1975 ◽

Vol 14 (10) ◽

pp. 2413-2416 ◽

Cited By ~ 18

Author(s):

Richard C. Gearhart ◽

James D. Beck ◽

Robert H. Wood

Keyword(s):

Crystal Structures ◽

Heats Of Formation ◽

Bond Energies ◽

Donor Acceptor ◽

Group 3

Download Full-text

Quantitative resonance theory: resonance energies of substituted conjugated hydrocarbons and the inherent resonance effects of substituents

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(95)04119-q ◽

1995 ◽

Vol 337 (1) ◽

pp. 77-87

Author(s):

Pipeng Yang

Keyword(s):

Resonance Theory ◽

Resonance Effects ◽

Conjugated Hydrocarbons ◽

Resonance Energies

Download Full-text

898. Heats of formation and bond energies. Part IV. Hexacyclohexyloxycyclotriphosphazatriene, hexamethylcyclotriphosphazatriene, and octaphenylcyclotetraphosphazatetraene

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9600004649 ◽

1960 ◽

pp. 4649 ◽

Cited By ~ 3

Author(s):

A. F. Bedford ◽

C. T. Mortimer

Keyword(s):

Heats Of Formation ◽

Bond Energies

Download Full-text

HEATS OF FORMATION AND COÖRDINATE BOND ENERGIES OF SOME NICKEL(II) CHELATES

The Journal of Physical Chemistry ◽

10.1021/j100799a024 ◽

1963 ◽

Vol 67 (5) ◽

pp. 1049-1051 ◽

Cited By ~ 23

Author(s):

James L. Wood ◽

Mark M. Jones

Keyword(s):

Heats Of Formation ◽

Bond Energies ◽

Coordinate Bond

Download Full-text