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Physical Chemistry Chemical Physics : PCCP
|
January 16, 2024
Visualizing and characterizing excited states from time-dependent density functional theory
John M Herbert
Physical Chemistry Chemical Physics : PCCP
|
August 23, 2024
Correction: Visualizing and characterizing excited states from time-dependent density functional theory
John M Herbert
The Journal of Chemical Physics
|
November 10, 2019
Fantasy versus reality in fragment-based quantum chemistry
John M Herbert
The Journal of Physical Chemistry. A
|
August 13, 2021
Neat, Simple, and Wrong: Debunking Electrostatic Fallacies Regarding Noncovalent Interactions
John M Herbert
Physical Chemistry Chemical Physics : PCCP
|
September 10, 2019
Structure of the aqueous electron
John M Herbert
The Journal of Physical Chemistry. B
|
January 17, 2014
Excited-state deactivation pathways in uracil versus hydrated uracil: solvatochromatic shift in the (1)nπ* state is the key
Xing Zhang, John M Herbert
Journal of Chemical Theory and Computation
|
June 13, 2023
Fractional-Electron and Transition-Potential Methods for Core-to-Valence Excitation Energies Using Density Functional Theory
Subrata Jana, John M Herbert
The Journal of Chemical Physics
|
March 8, 2023
Slater transition methods for core-level electron binding energies
Subrata Jana, John M Herbert
The Journal of Chemical Physics
|
July 24, 2015
An efficient and accurate approximation to time-dependent density functional theory for systems of weakly coupled monomers
Jie Liu, John M Herbert
The Journal of Chemical Physics
|
February 3, 2018
Self-consistent predictor/corrector algorithms for stable and efficient integration of the time-dependent Kohn-Sham equation
Ying Zhu, John M Herbert
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of 16
Search research articles
Search
Showing results (1-10 of 154) with videos related to
Sort By:
Page
of 16
Physical Chemistry Chemical Physics : PCCP
|
January 16, 2024
Visualizing and characterizing excited states from time-dependent density functional theory
John M Herbert
Physical Chemistry Chemical Physics : PCCP
|
August 23, 2024
Correction: Visualizing and characterizing excited states from time-dependent density functional theory
John M Herbert
The Journal of Chemical Physics
|
November 10, 2019
Fantasy versus reality in fragment-based quantum chemistry
John M Herbert
The Journal of Physical Chemistry. A
|
August 13, 2021
Neat, Simple, and Wrong: Debunking Electrostatic Fallacies Regarding Noncovalent Interactions
John M Herbert
Physical Chemistry Chemical Physics : PCCP
|
September 10, 2019
Structure of the aqueous electron
John M Herbert
The Journal of Physical Chemistry. B
|
January 17, 2014
Excited-state deactivation pathways in uracil versus hydrated uracil: solvatochromatic shift in the (1)nπ* state is the key
Xing Zhang, John M Herbert
Journal of Chemical Theory and Computation
|
June 13, 2023
Fractional-Electron and Transition-Potential Methods for Core-to-Valence Excitation Energies Using Density Functional Theory
Subrata Jana, John M Herbert
The Journal of Chemical Physics
|
March 8, 2023
Slater transition methods for core-level electron binding energies
Subrata Jana, John M Herbert
The Journal of Chemical Physics
|
July 24, 2015
An efficient and accurate approximation to time-dependent density functional theory for systems of weakly coupled monomers
Jie Liu, John M Herbert
The Journal of Chemical Physics
|
February 3, 2018
Self-consistent predictor/corrector algorithms for stable and efficient integration of the time-dependent Kohn-Sham equation
Ying Zhu, John M Herbert
Page
of 16