Vibrational and Hirshfeld surface analyses, quantum chemical calculations, and molecular docking studies of coumarin derivative 3-(1-m-toluidinoethylidene)-chromane-2,4-dione and its corresponding palladium(II) complex

Published 2020 View Full Article

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Title
Vibrational and Hirshfeld surface analyses, quantum chemical calculations, and molecular docking studies of coumarin derivative 3-(1-m-toluidinoethylidene)-chromane-2,4-dione and its corresponding palladium(II) complex
Authors
Keywords
FTIR, Hirshfeld, AIM and NBO, Electrostatic potential, HOMO and LUMO, Molecular docking
Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1209, Issue -, Pages 127935
Publisher
Elsevier BV
Online
2020-02-21
DOI
10.1016/j.molstruc.2020.127935

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