Quantum Chemical Interaction Energy Surfaces of Ethylene and

Mar 8, 2005 - ...
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2866

J. Phys. Chem. A 2005, 109, 2866-2874

Quantum Chemical Interaction Energy Surfaces of Ethylene and Propene Dimers Jukka-Pekka Jalkanen, Sallaraisa Pulkkinen, and Tapani A. Pakkanen* Department of Chemistry, UniVersity of Joensuu, PO Box 111, FIN-80101 Joensuu, Finland

Richard L. Rowley Department of Chemical Engineering, Brigham Young UniVersity, ProVo, Utah 84602 ReceiVed: June 19, 2004; In Final Form: January 30, 2005

Ab initio studies of nonbonding interactions for ethylene and propene dimers were conducted at the MP2/ 6-311+G(2df,2pd) level. The dimers were attractive in all of the orientations studied; however, the attraction was