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Optimization of the geometry and electronic structure of bridged binuclear aromatic molecules

โœ Scribed by A. N. Pankratov


Publisher
SP MAIK Nauka/Interperiodica
Year
1991
Tongue
English
Weight
546 KB
Volume
32
Category
Article
ISSN
0022-4766

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๐Ÿ“œ SIMILAR VOLUMES


The electronic structure and geometry of
โœ Douglas A. Brotchie; Colin Thomson ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 416 KB

The results of ab initio calculations, making use of the restricted Hartree-Fock scheme, on two radicals -HNF and the postulated species HBF -are presented. Geometry predictions made, using three different basis sets of gaussian orbitals are compared, and the bonding is discussed in terms of the Mul

The electronic structure and geometry of
โœ Colin Thomson; Douglas A. Brotchie ๐Ÿ“‚ Article ๐Ÿ“… 1972 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 309 KB

Results 31e presented of ab initio 4cuIations on the BF, and NF, radicrrls. Geometry predictions for these species usirq different gaussian orbital basis sets are compared.