Warren Hehre
Affiliations: | University of California, Irvine, Irvine, CA |
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Benzynes, Dehydroconjugated Molecules, and the Interaction
of Orbitals Separated by a Number of Intervening u Bonds
Roald Hoffmann, Akira Imamura, and Warren J. Hehre
Contribution from the Department of Chemistry, Cornell University,
Ithaca, New York 14850. Received May 31, 1967
Mean distance: 8.22 | S | N | B | C | P |
Parents
Sign in to add mentorRoald Hoffmann | research assistant | Cornell | |
John Anthony Pople | grad student | Cambridge |
Children
Sign in to add traineeEvans Adei | grad student | UC Irvine | |
Michelle Miller Francl | grad student | UC Irvine | |
Wayne Huang | grad student | UC Irvine | |
Willis T. Yets | grad student | UC Irvine | |
Steven K. Pollack | grad student | 1975-1981 | UC Irvine |
William J. Pietro | grad student | 1982 | UC Irvine |
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Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801 |
Shao Y, Molnar LF, Jung Y, et al. (2006) Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91 |
Carpenter JE, Yets WT, Carpenter IL, et al. (1990) Selection of configurations for parameterization of two-body interaction potentials Journal of Physical Chemistry. 94: 443-447 |
McGrath MP, Francl MM, Rowland FS, et al. (1988) Isomers of nitric acid and chlorine nitrate Journal of Physical Chemistry. 92: 5352-5357 |
Hehre WJ, Pau CF, Headley AD, et al. (1986) A scale of directional substituent polarizability parameters from ab initio calculations of polarizability potentials Journal of the American Chemical Society. 108: 1711-1712 |
Dobbs KD, Francl MM, Hehre WJ. (1984) Conformational preferences in Mo2L6 complexes Inorganic Chemistry. 23: 24-26 |
Francl MM, Hout RF, Hehre WJ. (1984) Representation of electron densities. 1. Sphere fits to total electron density surfaces Journal of the American Chemical Society. 106: 563-570 |
Francl MM, Pietro WJ, Hout RF, et al. (1983) Conformational preferences in transition-metal carbenes Organometallics. 2: 815-818 |
Francl MM, Hehre WJ. (1983) Structure of the Tebbe reagent. An intramolecular complex? Organometallics. 2: 457-459 |
Francl MM, Pietro WJ, Hout RF, et al. (1983) Hyperconjugation and the structures of metal carbenes Organometallics. 2: 281-286 |