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Journal of Chemical Theory and Computation
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October 21, 2025
FC2DES+HT: Including Herzberg-Teller Effects in the Simulation of 2D Electronic Spectra for Harmonic Hamiltonians
Lucas Allan, Tim J Zuehlsdorff
The Journal of Chemical Physics
|
February 21, 2024
Taming the third order cumulant approximation to linear optical spectroscopy
Lucas Allan, Tim J Zuehlsdorff
The Journal of Physical Chemistry. A
|
June 28, 2024
First-Principles Modeling of the Absorption Spectrum of Crystal Violet in Solution: The Importance of Environmentally Driven Symmetry Breaking
Dayana Bashirova, Tim J Zuehlsdorff
The Journal of Physical Chemistry. A
|
September 4, 2024
Electronic Structure and CO<sub>2</sub> Reactivity of Group IV/V/VI Tetraperoxometalates
Jacob S Hirschi, May Nyman, Tim J Zuehlsdorff
The Journal of Chemical Physics
|
May 5, 2026
Importance of nonadiabatic effects in modeling absorption spectra of indole and cyanoindole derivatives in solution
Dayana Bashirova, Julia Stein, Katie Siegfried, et al.
The Journal of Chemical Physics
|
August 6, 2020
Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions
Tim J Zuehlsdorff, Hanbo Hong, Liang Shi, et al.
The Journal of Physical Chemistry. B
|
December 28, 2019
Influence of Electronic Polarization on the Spectral Density
Tim J Zuehlsdorff, Hanbo Hong, Liang Shi, et al.
The Journal of Chemical Physics
|
July 30, 2024
Calculating absorption and fluorescence spectra for chromophores in solution with ensemble Franck-Condon methods
Ajay Khanna, Sapana V Shedge, Tim J Zuehlsdorff, et al.
The Journal of Physical Chemistry Letters
|
April 22, 2024
Environmentally Driven Symmetry Breaking Quenches Dual Fluorescence in Proflavine
Kye E Hunter, Yuezhi Mao, Alex W Chin, et al.
The Journal of Chemical Physics
|
September 16, 2024
Computing linear optical spectra in the presence of nonadiabatic effects on graphics processing units using molecular dynamics and tensor-network approaches
Evan Lambertson, Dayana Bashirova, Kye E Hunter, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 29) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
October 21, 2025
FC2DES+HT: Including Herzberg-Teller Effects in the Simulation of 2D Electronic Spectra for Harmonic Hamiltonians
Lucas Allan, Tim J Zuehlsdorff
The Journal of Chemical Physics
|
February 21, 2024
Taming the third order cumulant approximation to linear optical spectroscopy
Lucas Allan, Tim J Zuehlsdorff
The Journal of Physical Chemistry. A
|
June 28, 2024
First-Principles Modeling of the Absorption Spectrum of Crystal Violet in Solution: The Importance of Environmentally Driven Symmetry Breaking
Dayana Bashirova, Tim J Zuehlsdorff
The Journal of Physical Chemistry. A
|
September 4, 2024
Electronic Structure and CO<sub>2</sub> Reactivity of Group IV/V/VI Tetraperoxometalates
Jacob S Hirschi, May Nyman, Tim J Zuehlsdorff
The Journal of Chemical Physics
|
May 5, 2026
Importance of nonadiabatic effects in modeling absorption spectra of indole and cyanoindole derivatives in solution
Dayana Bashirova, Julia Stein, Katie Siegfried, et al.
The Journal of Chemical Physics
|
August 6, 2020
Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions
Tim J Zuehlsdorff, Hanbo Hong, Liang Shi, et al.
The Journal of Physical Chemistry. B
|
December 28, 2019
Influence of Electronic Polarization on the Spectral Density
Tim J Zuehlsdorff, Hanbo Hong, Liang Shi, et al.
The Journal of Chemical Physics
|
July 30, 2024
Calculating absorption and fluorescence spectra for chromophores in solution with ensemble Franck-Condon methods
Ajay Khanna, Sapana V Shedge, Tim J Zuehlsdorff, et al.
The Journal of Physical Chemistry Letters
|
April 22, 2024
Environmentally Driven Symmetry Breaking Quenches Dual Fluorescence in Proflavine
Kye E Hunter, Yuezhi Mao, Alex W Chin, et al.
The Journal of Chemical Physics
|
September 16, 2024
Computing linear optical spectra in the presence of nonadiabatic effects on graphics processing units using molecular dynamics and tensor-network approaches
Evan Lambertson, Dayana Bashirova, Kye E Hunter, et al.
Page
of 3