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Ab initio study of the structural reorganization of AH2 (A = B, C, N, O) molecules in a gaseous-phase electron transfer process

✍ Scribed by Yuxiang Bu; Baoan Wang


Book ID
113258585
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
545 KB
Volume
313
Category
Article
ISSN
0166-1280

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Conformational preferences of 34 valence
✍ Timothy Clark; Paul Von RaguΓ© Schleyer πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 633 KB

Ab irzitio molecular orbital structures and energies of B2F4, B2C14, N204, and C20:-have been calculated for both perpendicular D2d and planar D2h rotamers. The experimental trend toward greater preference for the D2d forms in going from B2F4 to BzCl4 is reproduced. N204 favors the planar conformati