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A molecular orbital study of exciplex structure

โœ Scribed by M.Glenn Horner; James R. Larson


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
751 KB
Volume
55
Category
Article
ISSN
1010-6030

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๐Ÿ“œ SIMILAR VOLUMES


A molecular orbital study of protonated
โœ Koichi Yamashita; Keiji Morokuma ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 484 KB

The structures of isomers of protonated NzO in the ground state are determined by the ab initio MP2 gradient method with a 6-3 IG\* basis set. Calculations at the MP4SDQ16-3 I lG\*\* level predict that the 0-protonated NZO is the most stable isomer and is lower in energy by 7.1 kcahmol than the N-pr