Dinitrogen Binding and Activation: Bonding Analyses of Stable V(III/I)-N-2-V(III/I) Complexes by the EDA-NOCV Method from the Perspective of Vanadium NitrogenaseDIVALENT VANADIUMBASIS-SETSNATURAL ORBITALSENERGYREDUCTIONCHEMISTRYFIXATIONMODELAPPROXIMATIONCOFACTOR...
Ghouzala Boukehil Contributions Ghouzala Boukehil: DFT investigation, analysis of the results and writing. Mohamed Amine Zerizer: writing original draft and commented on the final version of the manuscript. Sabri Mecheri: Contributed to study conception and design. Bachir Zouchoune: Conceptualization,...