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The Journal of Physical Chemistry. A|January 19, 2017
Ultrafast Electronic Relaxation through a Conical Intersection: Nonadiabatic Dynamics Disentangled through an Oscillator Strength-Based Diabatization FrameworkGregory R Medders, Ethan C Alguire, Amber Jain, et al.
The Journal of Chemical Physics|January 7, 2009
Constructing diabatic states from adiabatic states: extending generalized Mulliken-Hush to multiple charge centers with boys localizationJoseph E Subotnik, Sina Yeganeh, Robert J Cave, et al.
The Journal of Chemical Physics|December 20, 2024
A semiclassical non-adiabatic phase-space approach to molecular translations and rotations: Surface hopping with electronic inertial effectsXuezhi Bian, Yanze Wu, Tian Qiu, et al.
The Journal of Chemical Physics|February 3, 2020
TD-DFT spin-adiabats with analytic nonadiabatic derivative couplingsNicole Bellonzi, Ethan Alguire, Shervin Fatehi, et al.
The Journal of Chemical Physics|February 3, 2019
Special Topic on Interfacial Electrochemistry and Photo(electro)catalysisTianquan Lian, Marc T M Koper, Karsten Reuter, et al.
The Journal of Physical Chemistry. B|February 14, 2019
Simple and Efficient Theoretical Approach To Compute 2D Optical SpectraAmber Jain, Andrew S Petit, Jessica M Anna, et al.
The Journal of Chemical Physics|June 24, 2020
Modeling voltammetry curves for proton coupled electron transfer: The importance of nuclear quantum effectsAlec J Coffman, Wenjie Dou, Sharon Hammes-Schiffer, et al.
The Journal of Chemical Physics|July 17, 2014
Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximationQi Ou, Shervin Fatehi, Ethan Alguire, et al.
The Journal of Chemical Physics|October 10, 2014
Quantum dynamical investigation of the simplest Criegee intermediate CH2OO and its O-O photodissociation channelsKousik Samanta, Joseph M Beames, Marsha I Lester, et al.
The Journal of Physical Chemistry Letters|June 13, 2023
Nonadiabatic Potential Energy Surfaces for a Molecule on a Surface as Found by Constrained Complete Active Space TheoryJunhan Chen, Joseph Subotnik
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