The standard enthalpy of formation of CH2

A. Császár, Matthew L. Leininger, V. Szalay

Research output: Contribution to journalArticle

74 Citations (Scopus)

Abstract

The focal-point scheme was used to compute the standard enthalpies of formation of ̃X3B1 CH2 and tild;α1A1 CH2. Accurate and purely ab initio computation of (temperature-dependent) standard enthalpies of formation require several types of energetic information, most importantly atomization energies, bond dissociation energies, and zero-point energies. Investigation of these quantities was carried out by considering ΔfH298/00. The resultant data were analyzed in detail.

Original languageEnglish
Pages (from-to)10631-10642
Number of pages12
JournalThe Journal of Chemical Physics
Volume118
Issue number23
DOIs
Publication statusPublished - Jun 15 2003

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Enthalpy
enthalpy
zero point energy
atomizing
Atomization
dissociation
energy
Temperature
temperature

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

The standard enthalpy of formation of CH2. / Császár, A.; Leininger, Matthew L.; Szalay, V.

In: The Journal of Chemical Physics, Vol. 118, No. 23, 15.06.2003, p. 10631-10642.

Research output: Contribution to journalArticle

Császár, A. ; Leininger, Matthew L. ; Szalay, V. / The standard enthalpy of formation of CH2. In: The Journal of Chemical Physics. 2003 ; Vol. 118, No. 23. pp. 10631-10642.
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