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Ab Initio Study on the Effects of the Substituent and the Functional Group on the Isomerization of H 3 CC(X)Y and H 2 C(X)CHY (Y = SiH 2 , PH, S; X = H, CH 3 , NH 2 , OH, F)

✍ Scribed by Chuang, Chi-Hsiang; Lien, Min-Hsiung


Book ID
127314748
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
222 KB
Volume
108
Category
Article
ISSN
1089-5639

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The effect of a substituent group in dimeric complexes of benzene with ethylene and its four derivatives on the intermolecular CH/p interaction was studied theoretically. The hydrogen-bonding nature of the CH/p interaction is confirmed by the bond critical point analysis within the atoms-in-molecule