|
|||||
|
|
Structural and spectroscopic aspects of SCN(-)(H2O)n clusters and the temperature dependency of the isomers: a parallel tempering based approach |
|
| Authors: | Pulak Naskar |
| Affiliation: | 1. Department of Chemistry, University of Calcutta, Kolkata, Indiapulakchem91@gmail.compnchem_rs@caluniv.ac.in |
| Abstract: | |
| Keywords: | Thiocyanate–water clusters parallel tempering molecular clusters quantum chemical calculations temperature dependency of isomers |