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Accurate heats of formation of the 'Arduengo-type' carbene and various adducts including H2 from ab initio molecular orbital theory
- Source :
- Journal of Physical Chemistry A. Feb 9, 2006, Vol. 110 Issue 5, p1968, 7 p.
- Publication Year :
- 2006
-
Abstract
- High levels of ab initio electronic structure theory were used for calculating the heats of formation of saturated and unsaturated diaminocarbenes. 56.4 kcal/mol was the value of heat of formation for the unsaturated triplet carbene.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 110
- Issue :
- 5
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.146236243