A computational modeling of the structure, frontier molecular orbital (FMO) analysis, and global and local reactive descriptors of a phytochemical `coumestrol'

DOI10.1201/9781003055174-2MaRDI QIDQ3383174zbMATH OpenOpenAlexFDO

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

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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(2)

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• Evolutionary analysis and structural characterization of \textit{Aquilaria sinensis} sesquiterpene synthase in agarwood formation: a computational study

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