| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382657 | Chemical Physics Letters | 2013 | 7 Pages |
Abstract
⺠Structure of benzene-acetylene clusters investigated using the CCSD(T) method. ⺠T-shaped geometry most stable for the 1:1 benzene-acetylene complex. ⺠Ring-shaped geometry most stable for the 1:2 complex. ⺠ÏB97X-D functional most suited for energetic studies of bz-ac clusters. ⺠Intermolecular interaction seems to be pair-wise additive for the hetero clusters.
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Authors
Moumita Majumder, Brijesh Kumar Mishra, N. Sathyamurthy,