☰ Chemistry Tree

John S. Sears

Affiliations:

Georgia Institute of Technology, Atlanta, GA

Area:

Computational and theoretical chemistry

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Mean distance: 8.84

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Parents

C. David Sherrill	grad student	2002-2007	Georgia Tech
(Minimalistic descriptions of nondynamical electron correlation: From bond-breaking to transition-metal catalysis.)
C. David Sherrill	grad student	2002-2007	Georgia Tech
(Minimalistic descriptions of nondynamical electron correlation: From bond-breaking to transition-metal catalysis.)
Jean-Luc Brédas	post-doc	2007-2008	Georgia Tech

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Li H, Hong M, Scarpaci A, et al. (2019) Chemical Stabilities of the Lowest Triplet State in Aryl Sulfones and Aryl Phosphine Oxides Relevant to OLED Applications Chemistry of Materials. 31: 1507-1519
Sutton C, Tummala NR, Kemper T, et al. (2017) Understanding the effects of electronic polarization and delocalization on charge-transport levels in oligoacene systems. The Journal of Chemical Physics. 146: 224705
Zhang CR, Sears JS, Yang B, et al. (2014) Theoretical Study of the Local and Charge-Transfer Excitations in Model Complexes of Pentacene-C60 Using Tuned Range-Separated Hybrid Functionals. Journal of Chemical Theory and Computation. 10: 2379-88
Sutton C, Körzdörfer T, Gray MT, et al. (2014) Accurate description of torsion potentials in conjugated polymers using density functionals with reduced self-interaction error. The Journal of Chemical Physics. 140: 054310
Zhang CR, Coropceanu V, Sears JS, et al. (2014) Vibronic coupling in the ground state of oligoacene cations: The performance of range-separated hybrid density functionals Journal of Physical Chemistry C. 118: 154-158
Zhang CR, Sears JS, Yang B, et al. (2014) Theoretical study of the local and charge-transfer excitations in model complexes of pentacene-C60 using tuned range-separated hybrid functionals Journal of Chemical Theory and Computation. 10: 2379-2388
Sutton C, Sears JS, Coropceanu V, et al. (2013) Understanding the Density Functional Dependence of DFT-Calculated Electronic Couplings in Organic Semiconductors. The Journal of Physical Chemistry Letters. 4: 919-24
Li H, Winget P, Risko C, et al. (2013) Tuning the electronic and photophysical properties of heteroleptic iridium(III) phosphorescent emitters through ancillary ligand substitution: a theoretical perspective. Physical Chemistry Chemical Physics : Pccp. 15: 6293-302
Li H, Winget P, Risko C, et al. (2013) Tuning the electronic and photophysical properties of heteroleptic iridium(iii) phosphorescent emitters through ancillary ligand substitution: A theoretical perspective Physical Chemistry Chemical Physics. 15: 6293-6302
Sutton C, Sears JS, Coropceanu V, et al. (2013) Understanding the density functional dependence of DFT-calculated electronic couplings in organic semiconductors Journal of Physical Chemistry Letters. 4: 919-924

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