John S. Sears

Affiliations: 
Georgia Institute of Technology, Atlanta, GA 
Area:
Computational and theoretical chemistry
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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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Publications

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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
Hawk JA, Cheng TL, Sears JS, et al. (2015) Gamma Prime Stability in Haynes 282: Theoretical and Experimental Considerations Journal of Materials Engineering and Performance. 24: 4171-4181
Licavoli JJ, Gao MC, Sears JS, et al. (2015) Microstructure and Mechanical Behavior of High-Entropy Alloys Journal of Materials Engineering and Performance. 24: 3685-3698
Rozman KA, Kruzic JJ, Sears JS, et al. (2015) Fatigue Crack Growth Mechanisms for Nickel-based Superalloy Haynes 282 at 550-750 °C Journal of Materials Engineering and Performance. 24: 3699-3707
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
Wen YH, Cheng TL, Jablonski PD, et al. (2014) Stability of gamma prime in H282: Theoretical and experimental consideration 8th International Symposium On Superalloy 718 and Derivatives 2014. 361-378
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
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