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The Journal of Chemical Physics|October 28, 2011
Communication: orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionalsJohn S Sears, Thomas Koerzdoerfer, Cai-Rong Zhang, et al.Physical Chemistry Chemical Physics : PCCP|March 23, 2013
Tuning the electronic and photophysical properties of heteroleptic iridium(III) phosphorescent emitters through ancillary ligand substitution: a theoretical perspectiveHuifang Li, Paul Winget, Chad Risko, et al.The Journal of Chemical Physics|October 2, 2012
On the relationship between bond-length alternation and many-electron self-interaction errorThomas Körzdörfer, Robert M Parrish, John S Sears, et al.Journal of Chemical Theory and Computation|November 19, 2015
Theoretical Study of the Local and Charge-Transfer Excitations in Model Complexes of Pentacene-C60 Using Tuned Range-Separated Hybrid FunctionalsCai-Rong Zhang, John S Sears, Bing Yang, et al.Nature Communications|October 29, 2010
Effects of electronegative substitution on the optical and electronic properties of acenes and diazaacenesAnthony Lucas Appleton, Scott M Brombosz, Stephen Barlow, et al.The Journal of Chemical Physics|February 12, 2014
Accurate description of torsion potentials in conjugated polymers using density functionals with reduced self-interaction errorChristopher Sutton, Thomas Körzdörfer, Matthew T Gray, et al.Pageof 2