Comment: On the relative heats of formation of C3H7O+ ions. An ab initio molecular orbital [G2(MP2) and CBS-Q] study

Eur. J. Mass Spectrom. 1, 499–500 (1995)
DOI: 10.1255/ejms.111

Comment: On the relative heats of formation of C₃H₇O⁺ ions. An ab initio molecular orbital [G2(MP2) and CBS-Q] study

Peter E. Andersen and Steen Hammerum
Department of Chemistry, University of Copenhagen, The H.C. Ørsted Institute, DK-2100 Copenhagen Ø, Denmark.

ABSTRACT:

The heats of formation of the four C₃H₇O⁺ ions have been calculated using the G2(MP2) and CBS-Q theoretical procedures, to resolve a discrepancy between experimentally determined values.

Keywords: No keywords available

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