Molecular structure, vibrational spectral assignments (FT-IR and FT-Raman), UV-Vis, NMR, NBO, HOMO-LUMO and NLO properties of 3t-pentyl-2r,6c-diphenylpiperidin-4-one picrate based on DFT calculations

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Title
Molecular structure, vibrational spectral assignments (FT-IR and FT-Raman), UV-Vis, NMR, NBO, HOMO-LUMO and NLO properties of 3t-pentyl-2r,6c-diphenylpiperidin-4-one picrate based on DFT calculations
Authors
Keywords
3-Pentylpiperidin-4-one, FT-IR, FT-Raman, Hyperpolarizability, NBO, HOMO–LUMO
Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1105, Issue -, Pages 225-237
Publisher
Elsevier BV
Online
2015-10-25
DOI
10.1016/j.molstruc.2015.10.063

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