Quantum computational studies on optimization, donor-acceptor analysis and solvent effect on reactive sites, global descriptors, non-linear optical parameters of Methyl N-Boc-piperidine-3-carboxylate

Journal of Molecular Liquids - Tập 343 - Trang 117608 - 2021
M. Vimala1, S. Stella Mary1, R. Ramalakshmi1, S. Muthu2, R. Niranjana Devi3, Ahmad Irfan4
1Department of Physics, St. Peter’s Institute of Higher Education and Research, Avadi, Chennai 600054, India
2Department of Physics, Arignar Anna Govt. Arts College, Cheyyar, TamilNadu 604 407, India
3Department of Physics, Fatima college, Madurai, Tamilnadu 625018, India
4Department of Chemistry, College of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia

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