Publications

16 results at Theoretica Chimica Acta

Ab initio SCF MO calculations on the CH₃Br molecule
- - Guillermo P. del Conde
  - Paul S. Bagus
  - et al.
- 1977
- Theoretica Chimica Acta
Ab initio SCF computation of force constants for CO₂
- - Jacob Pacansky
  - Ulf Wahlgren
  - et al.
- 1976
- Theoretica Chimica Acta
Study of the structure of molecular complexes - XIV. Coordination numbers for selected ion pairs in water
- - Enrico Clementi
  - Riccardo Barsotti
  - et al.
- 1976
- Theoretica Chimica Acta
A theoretical study of the electromagnetic properties of ferrocene and the ferrocenium ion
- - Robert F. Kirchner
  - Gilda H. Loew
  - et al.
- 1976
- Theoretica Chimica Acta
Ab initio Calculations for the electronic structure of carbazole and trinitrofluorenone
- - I.P. Batra
  - P.S. Bagus
  - et al.
- 1974
- Theoretica Chimica Acta
Electronic structure of linear halogen compounds - I. The diatomic halides, interhalogens and halogen hydrides
- - Peter A. Straub
  - A.D. McLean
- 1974
- Theoretica Chimica Acta
Optimal double-configuration study of the lowest excited Π states of H₂ - I. Potential energy curves and one-electron properties
- - Karl Jug
  - Peter G. Lykos
  - et al.
- 1972
- Theoretica Chimica Acta
Exponent optimization for Π states of H₂
- - Karl Jug
  - Peter G. Lykos
  - et al.
- 1972
- Theoretica Chimica Acta
Optimal double-configuration study of the lowest excited Π states of H₂ - II. σ - π separation
- - Karl Jug
  - Peter G. Lykos
  - et al.
- 1972
- Theoretica Chimica Acta
PPP and CNDO calculations for protonated molecules
- - Margaret L. Bailey
  - J.P.M. Bailey
- 1970
- Theoretica Chimica Acta