Ligand reactant radical cation, SET mechanism, wB97XD/Def2-TZVPP, G = -3106.435420 + -529.489268 = -3,635.924688 ΔG = 45.6 @T355P58 G = -3106.449945
Rzepa, Henry
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Metrics Over Time
Publication Details
Subfield
Organic Chemistry
Field
Chemistry
Domain
Physical Sciences
Confidence Score
25%
Source
Scholar Data Model
Keywords
-3106.435420-3106.449945InChI=1S/C18H16F3N3.C6H6O.Cu/c1-12-8-13(2)17(14(3)9-12)24-7-6-23(11-24)16-10-15(4-5-22-16)18(19,20)21;7-6-4-2-1-3-5-6;/h4-10H,1-3H3;1-5,7H;/q;;+1/p-1InChI=1S/C18H16F3N3.C6H6O.Cu/c1-12-8-13(2)17(14(3)9-12)24-7-6-23(11-24)16-10-15(4-5-22-16)18(19,20)21;7-6-4-2-1-3-5-6;/h4-10H,1-3H3;1-5,7H;/q+1;;+1/p-1WDZJWPQKEPGPEQ-UHFFFAOYSA-MSGXULPHGJHDPNP-UHFFFAOYSA-M