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The Journal of Physical Chemistry. A
|
September 29, 2016
How Parallel Are Excited State Potential Energy Surfaces from Time-Independent and Time-Dependent DFT? A BODIPY Dye Case Study
Keenan T Komoto, Tim Kowalczyk
Journal of Chemical Theory and Computation
|
November 21, 2015
Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding
Tim Kowalczyk, Khoa Le, Stephan Irle
Chemical Reviews
|
November 15, 2011
Constrained density functional theory
Benjamin Kaduk, Tim Kowalczyk, Troy Van Voorhis
The Journal of Physical Chemistry. A
|
September 3, 2010
Fluorescence quenching by photoinduced electron transfer in the Zn2+ sensor zinpyr-1: a computational investigation
Tim Kowalczyk, Ziliang Lin, Troy Van Voorhis
The Journal of Physical Chemistry. B
|
October 4, 2011
Simulation of solution phase electron transfer in a compact donor-acceptor dyad
Tim Kowalczyk, Lee-Ping Wang, Troy Van Voorhis
The Journal of Chemical Physics
|
February 10, 2011
Assessment of the ΔSCF density functional theory approach for electronic excitations in organic dyes
Tim Kowalczyk, Shane R Yost, Troy Van Voorhis
The Journal of Chemical Physics
|
November 12, 2013
A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states
Shane R Yost, Tim Kowalczyk, Troy Van Voorhis
Journal of Chemical Theory and Computation
|
December 13, 2025
A Restriction-Based Configuration Interaction Approach Based on LC-DFTB: An Efficient Method for Field-Induced Charge Transfer in Molecular Systems
Ji Huang, Tim Kowalczyk, Yoshio Nishimoto, et al.
The Journal of Chemical Physics
|
April 8, 2023
Electronic transition dipole moments from time-independent excited-state density-functional tight-binding
Megan Y Deshaye, Alex T Wrede, Tim Kowalczyk
The Journal of Chemical Physics
|
May 3, 2013
Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach
Tim Kowalczyk, Takashi Tsuchimochi, Po-Ta Chen, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 28) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
September 29, 2016
How Parallel Are Excited State Potential Energy Surfaces from Time-Independent and Time-Dependent DFT? A BODIPY Dye Case Study
Keenan T Komoto, Tim Kowalczyk
Journal of Chemical Theory and Computation
|
November 21, 2015
Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding
Tim Kowalczyk, Khoa Le, Stephan Irle
Chemical Reviews
|
November 15, 2011
Constrained density functional theory
Benjamin Kaduk, Tim Kowalczyk, Troy Van Voorhis
The Journal of Physical Chemistry. A
|
September 3, 2010
Fluorescence quenching by photoinduced electron transfer in the Zn2+ sensor zinpyr-1: a computational investigation
Tim Kowalczyk, Ziliang Lin, Troy Van Voorhis
The Journal of Physical Chemistry. B
|
October 4, 2011
Simulation of solution phase electron transfer in a compact donor-acceptor dyad
Tim Kowalczyk, Lee-Ping Wang, Troy Van Voorhis
The Journal of Chemical Physics
|
February 10, 2011
Assessment of the ΔSCF density functional theory approach for electronic excitations in organic dyes
Tim Kowalczyk, Shane R Yost, Troy Van Voorhis
The Journal of Chemical Physics
|
November 12, 2013
A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states
Shane R Yost, Tim Kowalczyk, Troy Van Voorhis
Journal of Chemical Theory and Computation
|
December 13, 2025
A Restriction-Based Configuration Interaction Approach Based on LC-DFTB: An Efficient Method for Field-Induced Charge Transfer in Molecular Systems
Ji Huang, Tim Kowalczyk, Yoshio Nishimoto, et al.
The Journal of Chemical Physics
|
April 8, 2023
Electronic transition dipole moments from time-independent excited-state density-functional tight-binding
Megan Y Deshaye, Alex T Wrede, Tim Kowalczyk
The Journal of Chemical Physics
|
May 3, 2013
Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach
Tim Kowalczyk, Takashi Tsuchimochi, Po-Ta Chen, et al.
Page
of 3