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Quantum Chemical Interaction Energy Surfaces of Ethylene and Propene Dimers

✍ Scribed by Jalkanen, Jukka-Pekka; Pulkkinen, Sallaraisa; Pakkanen, Tapani A.; Rowley, Richard L.

Book ID: 127160280
Publisher: American Chemical Society
Year: 2005
Tongue: English
Weight: 806 KB
Volume: 109
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp047325c

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## Abstract Using the ab initio method of SCF MO LCAOSCF MO LCAO: Self‐consistent field molecular orbital linear combination of atomic orbitals. in a valency‐splitted basis of the Gaussian functions we have studied the addition of various monomers (C~3~H~8~, C~2~H~4~, C~2~H~2~) and dihydrogen to t