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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
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