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Ab initio calculations on the clustering energies and stable structures of H(M)+ + M → H(M)2+ (M = CO and N2)

✍ Scribed by Shigeru Ikuta

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 292 KB
Volume: 77
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)80166-2

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✦ Synopsis

The clustcrmg energcs of the reactlons, H(M)'+ 11 -H(U): (Xl = CO and Nz), were cnlculntcd by nb lnltlo smgle configuration LCAO SCF MO and SCEP methods The calculated energws axe III good agreement wtth the experImental enthalpies

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