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A comparative computational study on molecular structure, NBO analysis, multiple interactions, chemical reactivity and first hyperpolarisability of imatinib mesylate polymorphs using DFT and QTAIM approach
Srivastava, Anubha, Mishra, Rashmi, Joshi, B.D., Gupta, Vineet, Tandon, PoonamVolume:
40
Language:
english
Journal:
Molecular Simulation
DOI:
10.1080/08927022.2013.848279
Date:
November, 2014
File:
PDF, 434 KB
english, 2014