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Amidine decomposition mechanism. A theoretical study

✍ Scribed by J. Andrés; A. Beltran; M. Carda; J. Krechl; J. Monterde; E. Silla

Book ID
113257576
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
531 KB
Volume
254
Category
Article
ISSN
0166-1280

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## Abstract The decomposition pathways of chloromethanol have been studied by __ab initio__ calculation. Equilibriums and transition states have been optimized at the UMP2(full)/6–31G(d) level. The single point energies have been obtained at higher level of G3 (MP2). Four transition states and eigh