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
Structure and Energetics of Simple Carbenes CH2, CHF, CHCl, CHBr, CF2, and CCl2
- Charles W. Bauschlicher
- 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
Electron Correlation and the Reality of Xenon Difluoride
- Paul S. Bagus
- Bowen Liu
- et al.
- 2002
- JACS
Further theoretical examination of the F + H2 entrance channel barrier
- Michael J. Frisch
- Bowen Liu
- et al.
- 1985
- Chemical Physics Letters
The convergence of the cluster model for the study of chemisorption: Be36H
- Paul S. Bagus
- Henry F. Schaefer III
- et al.
- 1983
- The Journal of Chemical Physics
Theoretical dipole moment function of the X1Σ+ state of HI
- Steven R. Ungemach
- Henry F. Schaefer III
- et al.
- 1977
- Journal of Molecular Spectroscopy
Study of the contact-term contribution to the hyperfine structure obtained from spin-unrestricted Hartree-Fock wave functions
- Paul S. Bagus
- Bowen Liu
- et al.
- 1970
- Physical Review A