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Conformational & spectroscopic characterization, charge analysis and molecular docking profiles of chromone-3-carboxylic acid using a quantum hybrid computational method

Authors
  • Jayasheela, K.1
  • Nagabalasubramanian, P.B.2
  • Periandy, S.1
  • 1 Department of Physics, Kanchi Mamunivar Centre for Postgraduate Studies, Puducherry, India
  • 2 Department of Physics, Arignar Anna Govt. Arts & Science College, Karaikal, Puducherry, India
Type
Published Article
Journal
Heliyon
Publisher
Elsevier
Publication Date
Oct 08, 2020
Volume
6
Issue
10
Identifiers
DOI: 10.1016/j.heliyon.2020.e04775
PMID: 33083580
PMCID: PMC7550930
Source
PubMed Central
Keywords
License
Unknown

Abstract

Materials Science, Materials Chemistry, Theoretical Chemistry, Chromone-3-Carboxylic Acid; DFT; Bacillus subtilis; Hirshfeld surface analysis, charge analysis, electronic properties

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