| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382726 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠DFT-D is used to investigate the properties of OCS-C2H2 vdW complex. ⺠Only one T-shaped isomer, OCS-C2H2 (Sâ¥) of the complex exists. ⺠Calculated molecular properties reproduce the experimental values. ⺠Interactions are studied by SAPT. ⺠Molecular properties are computed theoretically for the first time.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Srimanta Pakhira, Chandan Sahu, Kaushik Sen, Abhijit K. Das,