๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Ab Initio SCF-Mo Study of the Chemisorption of Methane on Al and La Oxide Surfaces

โœ Scribed by M.J. Capitan; J.A. Odriozola; A. Marquez; J.F. Sanz


Book ID
112253371
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
516 KB
Volume
156
Category
Article
ISSN
0021-9517

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Ab initio SCF MO study on the force fiel
โœ Yoko Sugawara; Akiko Y. Hirakawa; Masamichi Tsuboi; Shigeki Kato; Keiji Morokuma ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 854 KB
Hydration of the ions Al3+ and Cu2+. An
โœ H. Veillard; J. Demuynck; A. Veillard ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 508 KB

Ah initlo calculations are reported For the systems .ti(H20)~' and Cu(H~0)z' with n up to 7. Tine cdcul2ted binding ene&s increase monotically up 10 ,I = 6, v&h equal binding energ& for IL = 6 2nd 7 foi Z& Al"'cation. AR estimate of the enihalpy of hydration of M3' \_ IS given, based on model calcuh

Ab initio SCF MO study of the hydrogen-b
โœ Alan Hinchliffe ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 168 KB

L~gesulc gaussmn orbItal SCF MO alculat~ons are prcsenlsd for the hldrogcn-bonded complcwr NCCN...HF and NCCN ..HCI. Calculated equrhbnum geometries. hydropn-bond dls>ocwion energies snd selcctrd oncs'lcctron proprrtws XC given to supplement w3ilable e\perlmcnral data. Cbangcs ol clcctron dlstrlbuti

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.