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A dissociative electroionization study of nitrous oxide. The no+ and N2+ dissociation channels

✍ Scribed by J.L. Olivier; R. Locht; J. Momigny

Publisher: Elsevier Science
Year: 1982
Tongue: English
Weight: 929 KB
Volume: 68
Category: Article
ISSN: 0301-0104
DOI: 10.1016/0301-0104(82)85095-7

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## Abstract Six density function theory methods (B3LYP, B3P86, MPWB1K1, MPWPW91, PBEPBE, TPSS1KCIS3) were used to calculate bond dissociation enthalpies of nitro compounds, where the B3P86 method was found to give the most accurate predictions. Using the B3P86 method __meta__‐ and __para__‐substitu