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Journal of Chemical Theory and Computation|December 3, 2015
Detailed Balance in Ehrenfest Mixed Quantum-Classical DynamicsPriya V Parandekar, John C Tully
The Journal of Chemical Physics|April 20, 2005
Mixed quantum-classical equilibriumPriya V Parandekar, John C Tully
The Journal of Chemical Physics|August 7, 2008
Mixed quantum-classical equilibrium: Surface hoppingJ R Schmidt, Priya V Parandekar, John C Tully
The Journal of Chemical Physics|December 3, 2008
Applications and assessment of QM:QM electronic embedding using generalized asymmetric Mulliken atomic chargesPriya V Parandekar, Hrant P Hratchian, Krishnan Raghavachari
The Journal of Chemical Physics|January 22, 2008
QM:QM electronic embedding using Mulliken atomic charges: energies and analytic gradients in an ONIOM frameworkHrant P Hratchian, Priya V Parandekar, Krishnan Raghavachari, et al.
The Journal of Physical Chemistry. B|May 18, 2016
Insights into the Mechanism and Kinetics of Thermo-Oxidative Degradation of HFPE High Performance PolymerSooraj Kunnikuruvan, Priya V Parandekar, Om Prakash, et al.
The Journal of Chemical Physics|July 13, 2011
QM:QM embedding using electronic densities within an ONIOM framework: energies and analytic gradientsHrant P Hratchian, Aliaksandr V Krukau, Priya V Parandekar, et al.
The Journal of Chemical Physics|March 29, 2024
Two-state model of energy dissipation at metal surfacesJohn C Tully
The Journal of Chemical Physics|December 20, 2012
Perspective: Nonadiabatic dynamics theoryJohn C Tully
Faraday Discussions|December 13, 2012
Nonadiabatic dynamics at metal surfaces: independent electron surface hopping with phonon and electron thermostatsNeil Shenvi, John C Tully
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