The structure of aniline by ab initio studies

Journal of Molecular Structure: THEOCHEM

Volumn 281, Issue 2-3, 1993, Pages 91-98

  Wang, Yin ^a   Saebø, Svein ^a   Pittman Jr , Charles U ^a  

^a MISSISSIPPI STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0004893947     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(93)87064-K     Document Type: Article

References (35)

1. The structure of aniline at 252 K
2. Theoretical studies of the structures of some mono- and di-substituted benzenes
3. Non-empirical calculations and basis set effects on the inversion geometry of the aniline molecule
4. The origin of the difference in the barriers to inversion in aniline and N-methylaniline
5. Theoretical studies of conjugated systems containing C?C and C?N fragments and their alkyl and amino derivatives
6. Molecular Orbital Structures for Small Organic Molecules and Cations
7. Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
8. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
9. Structures of some fluorinated benzenes determined byab initio computation