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Ab Initio Study of Photochemical Reactions of Ammonia Dimer Systems

✍ Scribed by Park, Jong Keun; Iwata, Suehiro


Book ID
126150892
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
179 KB
Volume
101
Category
Article
ISSN
1089-5639

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Various dlmer configurations of iluoroform have been mdied by means of the GAUSSIAN-70 &on&n usmg the rnmlmal STO-3G basis set The largest dunenzation energy, 0 68 kul/mol. occurs in an end-to-end bnear geometry wth a H...F distance. of 2 3 A and the electron donor molecule tilted at 45O with respec