Quantum mechanical calculations on barriers to internal rotation - II. The borazane molecule BH3-NH3
- M.-Cl Moireau
- A. Veillard
- 1968
- Theoretica Chimica Acta
Paper
Publications
16 results at Theoretica Chimica Acta
Gaussian basis set for molecular wavefunctions containing second-row atoms
- A. Veillard
- 1968
- Theoretica Chimica Acta
PaperA comparison of different contractions for molecular calculations with gaussian-type functions
- C. Salez
- A. Veillard
- 1968
- Theoretica Chimica Acta
PaperComplete multi-configuration self-consistent field theory
- A. Veillard
- E. Clementi
- 1967
- Theoretica Chimica Acta
PaperNon-empirical LCAO-MO-SCF-CI calculations on organic molecules with gaussian type functions - Part III. Atomic calculations
- S.S. Seung
- M.C. Harrison
- et al.
- 1967
- Theoretica Chimica Acta
PaperTwo-configuration, self-consistent field theory
- A. Veillard
- 1966
- Theoretica Chimica Acta
Paper