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

1 January 1995

journal article
Published by SAGE Publications in European Journal of Mass Spectrometry

Vol. 1 (1) , 499
https://doi.org/10.1255/ejms.111

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

AB INITIO
CBS
IONS
RELATIVE HEATS
ORBITAL
MP2
C3H7O

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