๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Ab initio calculation of the mobility of C+(2P) and C+ (4P) in helium

โœ Scribed by Stephen T. Grice; Peter W. Harland; Robert G.A.R. Maclagan; Richard W. Simpson


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
379 KB
Volume
87
Category
Article
ISSN
0168-1176

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Ab initio MO calculation of the Be(23P)
โœ P.G. Mezey; F. Bernardi; I.G. Csizmadia; O.P. Strausz ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 326 KB

Ab initio SCF Hartree-Fcck calculations were cxried out on the reaction of triplet state beryllium atoms with methane using uniform quality SG basis sets extended with polarization functions. The hydrogen abstraction reaction to give BeH(\*z) + CH~<\*~) is computed to be exothermic by 2.6 kcal/moIe

Ab initio calculations on Pโ€”C bond cleav
โœ Myong Lim; Christopher J. Cramer ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 156 KB ๐Ÿ‘ 1 views

Barrier heights for P-C bond homolysis in P-hydroxy-P-methyl-P,P-dioxophosphoranyl and P,P,Ptrihydroxy-P-methylphosphoranyl were calculated using well correlated levels of electronic structure theory. The best estimate for the difference in barriers between the two indicates that homolysis is more f