Ab initio quantum chemical study of the formation, decomposition and isomerization of the formaldiminoxy radical (CH 2 NO): comparison of the Gaussian-2 and CASPT2 techniques in the calculation of potential energy surfaces-Reference-Cited by-同舟云学术

Ab initio quantum chemical study of the formation, decomposition and isomerization of the formaldiminoxy radical (CH 2 NO): comparison of the Gaussian-2 and CASPT2 techniques in the calculation of potential energy surfaces

Published:1998-11-30 Issue:1-4 Volume:100 Page:212-221
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
language:
Short-container-title:Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Author:

Shapley Warwick A.,Bacskay George B.

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s002140050382.pdf

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