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Supplementary material for: "What is the nature of bonding in [Fe(CO)3(NO)]− and [Fe(CO)4]2−?"
(Springer Nature, 2020)
Additional computational results: Energy decomposition analysis of [Fe(CO)3]2−– CO at SR-ZORA-BP86-D4/TZP and SR-ZORA-BHandHLYP/TZP level of theory; energy decomposition analysis of [Fe(CO)3–NO]¯ for different fragmentation ...
Supporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes"
(Wiley, 2018)
Table S1. Experimental and calculated bond lengths and bond angles for 1,4 isomer of BN-dibenzopentalene; Table S2. Spin densities in diradical state of 1,3 isomer of BN-dibenzopentalene obtained by Hirshfeld population ...