Natural population analysis
A method of ‘‘natural population analysis’’ has been developed to calculate atomic charges and orbital populations of molecular wave functions in general atomic orbital basis se...
Publications
3 shownNatural bond orbital analysis of near-Hartree–Fock water dimer
We have carried out a natural bond orbital analysis of hydrogen bonding in the water dimer for the near-Hartree–Fock wave function of Popkie, Kistenmacher, and Clementi, extendi...
Quantum-mechanical studies on the origin of barriers to internal rotation about single bonds
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTQuantum-mechanical studies on the origin of barriers to internal rotation about single bondsT. K. Brunck and F. WeinholdCite this: J....
Frequent Co-Authors
Researcher Info
- h-index
- 3
- Publications
- 3
- Citations
- 12,884
- Institution
- University of Wisconsin–Madison
External Links
Identifiers
- ORCID
- 0000-0002-9580-054X
Impact Metrics
h-index
3
h-index: Number of publications with at least h citations each.