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Study of correlations for dihydrogen bonds by quantum-chemical calculations

✍ Scribed by Stawomir J Grabowski

Book ID
108313042
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
103 KB
Volume
312
Category
Article
ISSN
0009-2614

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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