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ChemInform Abstract: Ab initio Molecular Orbital Study of Toluene and Its Derivatives.

✍ Scribed by P. C. CHEN; C. W. WU


Book ID
112027182
Publisher
John Wiley and Sons
Year
2010
Weight
22 KB
Volume
27
Category
Article
ISSN
0931-7597

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Ab initio molecular orbital study of 1-f
✍ G. I. Csonka; P. Hencsei πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 828 KB

## Abstract The molecular geometry of 1‐fluorosilatrane was optimized fully by restricted Hartree–Fock (HF) calculations using the 3‐21G, 3‐21G(__d__) and 6‐31G(__d__) basis sets, with the aim of locating the positions of the local minima on the energy hypersurface. The optimized geometries were co