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A novel method for the calculation of energies of activation for gas reactions

โœ Scribed by BELL, THOMAS N.; PERKINS, PETER G.

Book ID
109696033
Publisher
Nature Publishing Group
Year
1975
Tongue
English
Weight
341 KB
Volume
256
Category
Article
ISSN
0028-0836

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โœ A.J. Duke; R.F.W. Bader ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 586 KB

Roothaan Hattree-Fock SCF uiculations for pointson the F-+ CHsF and CN-f CH3F minimum potential energy surfaces are report&. Considerable owe has been taken in the choice of basis sets used to desat%e these systems, \_. '. basis set {of above double zeta quality) was used for \* Our currett proglam