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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Trans Influence and Substituent Effects on the HOMO-LUMO Energy Gap and Stokes Shift in Ru Mono-Diimine Derivatives

Sanaa AlAbbad1, Tova Sardot1, Oliko Lekashvili2

  • 1Department of Chemistry and Biochemistry, University of Montana, Missoula MT, 59812 U.S.A.

Journal of Molecular Structure
|September 1, 2020
PubMed

Keywords:
Density Functional TheoryHOMO-LUMO energy gapRu mono-diimine complexesStokes shiftTriplet excited statetrans influence

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