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

• Materials Science
• Materials Chemistry
• Theoretical Chemistry
• Chromone-3-Carboxylic Acid
• Dft
• Bacillus Subtilis
• Hirshfeld Surface Analysis
• Charge Analysis
• Electronic Properties

License

Unknown