Showing results (1-10 of 3,982) with videos related to
Sort By:
Pageof 399
The Journal of Chemical Physics|February 3, 2018
Self-consistent predictor/corrector algorithms for stable and efficient integration of the time-dependent Kohn-Sham equationYing Zhu, John M HerbertThe Journal of Chemical Physics|June 1, 2022
High harmonic spectra computed using time-dependent Kohn-Sham theory with Gaussian orbitals and a complex absorbing potentialYing Zhu, John M HerbertJournal of Chemical Theory and Computation|September 14, 2023
Time-Dependent Density Functional Theory for X-ray Absorption Spectra: Comparing the Real-Time Approach to Linear ResponseJohn M Herbert, Ying Zhu, Bushra Alam, et al.Physical Chemistry Chemical Physics : PCCP|January 16, 2024
Visualizing and characterizing excited states from time-dependent density functional theoryJohn M HerbertPhysical Chemistry Chemical Physics : PCCP|August 23, 2024
Correction: Visualizing and characterizing excited states from time-dependent density functional theoryJohn M HerbertThe Journal of Chemical Physics|November 10, 2019
Fantasy versus reality in fragment-based quantum chemistryJohn M HerbertThe Journal of Physical Chemistry. A|August 13, 2021
Neat, Simple, and Wrong: Debunking Electrostatic Fallacies Regarding Noncovalent InteractionsJohn M HerbertPhysical Chemistry Chemical Physics : PCCP|September 10, 2019
Structure of the aqueous electronJohn M HerbertThe 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 keyXing Zhang, John M HerbertJournal of Chemical Theory and Computation|June 13, 2023
Fractional-Electron and Transition-Potential Methods for Core-to-Valence Excitation Energies Using Density Functional TheorySubrata Jana, John M HerbertPageof 399