Estimations of Fe–N2 Intrinsic Interaction Energies of Iron–Sulfur/Nitrogen–Carbon Sites: A Deeper Bonding Insight by EDA-NOCV Analysis of a Model Complex of the Nitrogenase Cofactor

Estimations of Fe–N2 Intrinsic Interaction Energies of Iron–Sulfur/Nitrogen–Carbon Sites: A Deeper Bonding Insight by EDA-NOCV Analysis of a Model Complex of the Nitrogenase Cofactor

Bibliographic Details
Main Authors:	Sai Manoj N. V. T. Gorantla, Kartik Chandra Mondal
Format:	Article
Language:	English
Published:	American Chemical Society 2021-12-01
Series:	ACS Omega
Online Access:	https://doi.org/10.1021/acsomega.1c05238

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