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Ab initio molecular-orbital calculations on Pt, PtH and PtH2 with a quasirelativistic pseudopotential for Pt

โœ Scribed by S. Tobisch; G. Rasch


Book ID
107734635
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
494 KB
Volume
166
Category
Article
ISSN
0009-2614

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Ab initio molecular orbital calculations
โœ Thomas P. Davis; Stephen C. Rogers ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 407 KB

## Abstract Ab initio molecular orbital calculations have been performed on the transition state for the addition of methyl radical to twelve vinyl monomers using the SV 3โ€“21G basis set. A linear relationship has been found between the calculated energies of activation and previously calculated ene