๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Gas phase structure of beryllocene, an ab initio LCAO MO SCF study

โœ Scribed by J. Demuynck; M.M. Rohmer


Book ID
107731759
Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
318 KB
Volume
54
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Cyclooctatetraene and related systems. A
โœ G. Wipff; U. Wahlgren; E. Kochanski; J.M. Lehn ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 334 KB

Minimal basis set non-empiricral SCF LCAO MO calculations on cyclooctatetiaene I, its &anion11 and its bicyclic valence tautomer III kad to i: ring inversion barrier of 17.8 kiral/mde for the ptient molecu!+ a phnar D,h structure for the dianion, and an energy difference of 3.9 kuijmok: bchveen I an

An ab-initio LCAO MO SCF study of the el
โœ Colin Thomson ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 314 KB

Ab-initio calculations using three large gaussian basis sets arc reported for the unstable molecule SF2. The cffcct on tbc energy and computed geometry of polarhation functions and their expcrnents is examined, and a variety of one4cciron propertics computed.

AB initio SCF LCAO MO study of the HOHโ€ฆC
โœ Lucjan Piela ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 312 KB

Ab initio SCF LCAO hi0 calculations for the [ HzO.. Cl]complex have been performed. The energy of the linear hydrogen bond has been found to be.lower than the energy of the bifurcated one. The difference of the energies is about 3 kcai/mole. The calculated equilibrium distance between the oxygen and