Modelling ab initio non-bonded interactions for sigma bond, pi bond, and lone pair orbitals

Chemical Physics Letters

Volumn 192, Issue 2-3, 1992, Pages 205-212

  Gruschus, James M ^a   Kuki, Atsuo ^a  

^a Department of Molecular Biology and Genetics   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0347144327     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(92)85453-H     Document Type: Article

References (29)

1. Interaction of orbitals through space and through bonds
2. Structure and bonding
3. A new energy decomposition scheme for molecular interactions within the Hartree-Fock approximation
4. Electron-transfer reactions in solution: an ab initio approach
5. A Quantitative Assessment of ?Through-space? and ?Through-bond? Interactions. Application to Semi-empirical SCF Models
6. The electronic structure of cyclophanes as suggested by their photoelectron spectra
7. Photoelectron spectra of the cyclophanes