Barrier to Internal Rotation in Ethane
A series of SCF LCAO MO computations for the ethane molecule are reported for both the staggered and eclipsed form. The obtained wavefunctions are better than those previously r...
Publications
2 shownStudy of the Electronic Structure of Molecules. III. Pyrrole Ground-State Wavefunction
An SCF LCAO MO ground-state wavefunction is presented for the pyrrole molecule. All electrons, σ and π, are considered, and all the necessary many-center integrals are included ...
Frequent Co-Authors
Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 259
- Institution
- IBM (United States)
External Links
Impact Metrics
h-index
2
h-index: Number of publications with at least h citations each.