A Computational Modeling of the Structure, Frontier Molecular Orbital (FMO) Analysis, and Global and Local Reactive Descriptors of a Phytochemical ‘Coumestrol’

DOI10.1201/9781003055174-2zbMath1472.92345OpenAlexW3097340875MaRDI QIDQ3383174

K. Muraleedharan, Swathi Krishna, Vijisha K. Rajan, P. Vinduja

Publication date: 23 September 2021

Published in: Mathematics Applied to Engineering in Action (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1201/9781003055174-2

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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