Articles with "insights simulate" as a keyword



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New Insights To Simulate the Luminescence Properties of Pt(II) Complexes Using Quantum Calculations.

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Published in 2017 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.7b00103

Abstract: The present manuscript reports a thorough quantum investigation on the luminescence properties of three monoplatinum(II) complexes. First, the simulated bond lengths at the ground state are compared to the observed ones, and the simulated electronic… read more here.

Keywords: phosphorescence spectra; luminescence properties; insights simulate; luminescence ... See more keywords