Title of article
DFT study on structures and vibrational frequencies of (CS2)2−
Author/Authors
Zhang، نويسنده , , Shao Wen and Zhang، نويسنده , , Cheng Gang and Yu، نويسنده , , Yong Tao and Mao، نويسنده , , Bing Zhi and He، نويسنده , , Fu Chu، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1999
Pages
6
From page
265
To page
270
Abstract
The B3LYP method was employed to study the structures and vibrational frequencies of (CS2)2− at the 6-31+G(d) level of theory. We found five stable structures, including two ion–molecule complexes and three chemical compounds. The most stable structure has D2h symmetry and an energy ∼16.58 kcal/mol lower than the sum of the energies of CS2 and CS2−.
Journal title
Chemical Physics Letters
Serial Year
1999
Journal title
Chemical Physics Letters
Record number
1777845
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