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The Journal of Physical Chemistry. B|October 11, 2017
Combining Explicit Quantum Solvent with a Polarizable Continuum ModelMakenzie R Provorse Long, Christine M Isborn
The Journal of Chemical Physics|December 2, 2009
Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix searchWenkel Liang, Christine M Isborn, Xiaosong Li
Annual Review of Physical Chemistry|January 4, 2021
Vibronic and Environmental Effects in Simulations of Optical SpectroscopyTim J Zuehlsdorff, Sapana V Shedge, Shao-Yu Lu, et al.
The Journal of Chemical Physics|April 14, 2007
Time-dependent density functional theory Ehrenfest dynamics: collisions between atomic oxygen and graphite clustersChristine M Isborn, Xiaosong Li, John C Tully
The Journal of Physical Chemistry. B|June 4, 2024
Axial H-Bonding Solvent Controls Inhomogeneous Spectral Broadening, While Peripheral H-Bonding Solvent Controls Vibronic Broadening: Cresyl Violet in MethanolChristopher A Myers, Shao-Yu Lu, Sapana Shedge, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Peak-shifting in real-time time-dependent density functional theoryMakenzie R Provorse, Bradley F Habenicht, Christine M Isborn
The Journal of Physical Chemistry. A|June 2, 2006
Ab initio diradical/zwitterionic polarizabilities and hyperpolarizabilities in twisted double bondsChristine M Isborn, Ernest R Davidson, Bruce H Robinson
The Journal of Physical Chemistry. B|November 1, 2016
Convergence of Excitation Energies in Mixed Quantum and Classical Solvent: Comparison of Continuum and Point Charge ModelsMakenzie R Provorse, Thomas Peev, Chou Xiong, et al.
Physical Chemistry Chemical Physics : PCCP|February 29, 2020
Molecular dynamics simulations of alkaline earth metal ions binding to DNA reveal ion size and hydration effectsMakenzie Provorse Long, Serra Alland, Madison E Martin, et al.
The Journal of Chemical Physics|February 12, 2009
Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theoriesSergei Tretiak, Christine M Isborn, Anders M N Niklasson, et al.
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