Electronic Structure and Properties of Krypton Difluoride
- Paul S. Bagus
- Bowen Liu
- et al.
- 2002
- JACS
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18 results for Henry F. Schaefer III
Electron Correlation and the Reality of Xenon Difluoride
- Paul S. Bagus
- Bowen Liu
- et al.
- 2002
- JACS
Structure and Energetics of Simple Carbenes CH2, CHF, CHCl, CHBr, CF2, and CCl2
- Charles W. Bauschlicher
- Henry F. Schaefer
- et al.
- 2002
- JACS
Probable Nonexistence of Xenon Monofluoride as a Chemically Bound Species in the Gas Phase
- Dean H. Liskow
- Henry F. Schaefer
- et al.
- 2002
- JACS
The x˜1A1 and ã3B2States of o-Benzyne: A Theoretical Characterization of Equilibrium Geometries, Harmonic Vibrational Frequencies, and the Singlet-Triplet Energy Gap
- Andrew C. Scheiner
- Henry F. Schaefer
- et al.
- 2002
- JACS
Potential energy surface for the model unimolecular reaction HNC→HCN
- Peter K. Pearson
- Henry F. Schaefer III
- et al.
- 2008
- The Journal of Chemical Physics
A Hartree-Fock interaction potential between a rigid asymmetric top and a spherical atom: (H2CO,He)
- Barbara J. Garrison
- William A. Lester Jr.
- et al.
- 2008
- The Journal of Chemical Physics
Effect of electron correlation on the H2CO-He interaction potential
- Barbara J. Garrison
- William A. Lester Jr.
- et al.
- 2008
- The Journal of Chemical Physics
Krypton monofluoride and its positive ion
- Bowen Liu
- Henry F. Schaefer III
- 2003
- The Journal of Chemical Physics
Direct near-hartree-fock calculations on the 1s hole states of NO +
- Paul S. Bagds
- Henry F. Schaefer III
- 2003
- The Journal of Chemical Physics