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Journal of Chemical Theory and Computation
|
April 1, 2017
Convergence of Computed Aqueous Absorption Spectra with Explicit Quantum Mechanical Solvent
Joel M Milanese, Makenzie R Provorse, Enrique Alameda, et al.
Journal of Chemical Theory and Computation
|
June 21, 2011
Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units
Christine M Isborn, Nathan Luehr, Ivan S Ufimtsev, et al.
The Journal of Chemical Physics
|
November 4, 2011
On the gauge invariance of nonperturbative electronic dynamics using the time-dependent Hartree-Fock and time-dependent Kohn-Sham
Feizhi Ding, Wenkel Liang, Craig T Chapman, et al.
The Journal of Chemical Physics
|
August 28, 2024
GPU-accelerated on-the-fly nonadiabatic semiclassical dynamics
Christopher A Myers, Ken Miyazaki, Thomas Trepl, et al.
The Journal of Chemical Physics
|
November 17, 2014
Two-electron Rabi oscillations in real-time time-dependent density-functional theory
Bradley F Habenicht, Noriyuki P Tani, Makenzie R Provorse, et al.
The Journal of Chemical Physics
|
February 28, 2021
Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy
Sapana V Shedge, Tim J Zuehlsdorff, Ajay Khanna, et al.
The Journal of Chemical Physics
|
May 17, 2015
Density-functional errors in ionization potential with increasing system size
Sarah R Whittleton, Xochitl A Sosa Vazquez, Christine M Isborn, et al.
Journal of Chemical Theory and Computation
|
July 8, 2017
Absorption Spectra for Disordered Aggregates of Chromophores Using the Exciton Model
Aleksey A Kocherzhenko, Xochitl A Sosa Vazquez, Joel M Milanese, et al.
Organic Letters
|
September 27, 2002
Aromaticity with a twist: Möbius [4n]annulenes
Claire Castro, Christine M Isborn, William L Karney, et al.
The Journal of Chemical Physics
|
October 16, 2021
Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue
Angus J Dunnett, Duncan Gowland, Christine M Isborn, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 46) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
April 1, 2017
Convergence of Computed Aqueous Absorption Spectra with Explicit Quantum Mechanical Solvent
Joel M Milanese, Makenzie R Provorse, Enrique Alameda, et al.
Journal of Chemical Theory and Computation
|
June 21, 2011
Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units
Christine M Isborn, Nathan Luehr, Ivan S Ufimtsev, et al.
The Journal of Chemical Physics
|
November 4, 2011
On the gauge invariance of nonperturbative electronic dynamics using the time-dependent Hartree-Fock and time-dependent Kohn-Sham
Feizhi Ding, Wenkel Liang, Craig T Chapman, et al.
The Journal of Chemical Physics
|
August 28, 2024
GPU-accelerated on-the-fly nonadiabatic semiclassical dynamics
Christopher A Myers, Ken Miyazaki, Thomas Trepl, et al.
The Journal of Chemical Physics
|
November 17, 2014
Two-electron Rabi oscillations in real-time time-dependent density-functional theory
Bradley F Habenicht, Noriyuki P Tani, Makenzie R Provorse, et al.
The Journal of Chemical Physics
|
February 28, 2021
Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy
Sapana V Shedge, Tim J Zuehlsdorff, Ajay Khanna, et al.
The Journal of Chemical Physics
|
May 17, 2015
Density-functional errors in ionization potential with increasing system size
Sarah R Whittleton, Xochitl A Sosa Vazquez, Christine M Isborn, et al.
Journal of Chemical Theory and Computation
|
July 8, 2017
Absorption Spectra for Disordered Aggregates of Chromophores Using the Exciton Model
Aleksey A Kocherzhenko, Xochitl A Sosa Vazquez, Joel M Milanese, et al.
Organic Letters
|
September 27, 2002
Aromaticity with a twist: Möbius [4n]annulenes
Claire Castro, Christine M Isborn, William L Karney, et al.
The Journal of Chemical Physics
|
October 16, 2021
Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue
Angus J Dunnett, Duncan Gowland, Christine M Isborn, et al.
Page
of 5