DFT/TDDFT investigation on the electronic structures and photophysical properties of phosphorescent iridium(III) complexes with 2-(pyridin-2-yl)-benzo[d]imidazole ligand
Author:
Publisher
Elsevier BV
Subject
Condensed Matter Physics,Biochemistry,General Chemistry,Atomic and Molecular Physics, and Optics,Biophysics
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1. Solid-state zwitterionic tautomerization of 2-((5-methyl-1H-pyrazol-3-yl)methyl)-1H-benzimidazole: Synthesis, characterization, DFT calculation and docking studies;Journal of Molecular Structure;2021-07
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3. Assessing Excited State Energy Gaps with Time-Dependent Density Functional Theory on Ru(II) Complexes;Journal of Chemical Theory and Computation;2017-08-22
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