Showing results (1-10 of 146) with videos related to
Sort By:
Pageof 15
The Journal of Physical Chemistry Letters|March 6, 2025
Simplified Tuning of Long-Range Corrected Time-Dependent Density Functional TheoryAniket Mandal, John M HerbertPhysical Chemistry Chemical Physics : PCCP|July 21, 2025
Computing L- and M-edge spectra using the DFT/CIS method with spin-orbit couplingAniket Mandal, John M HerbertJournal of Chemical Theory and Computation|October 16, 2024
Importance of Orbital Invariance in Quantifying Electron-Hole Separation and Exciton SizeJohn M Herbert, Aniket MandalThe Journal of Physical Chemistry. A|April 21, 2025
Revisiting the Half-and-Half FunctionalMontgomery Gray, Aniket Mandal, John M HerbertThe Journal of Chemical Physics|July 25, 2024
A new parameterization of the DFT/CIS method with applications to core-level spectroscopyAniket Mandal, Eric J Berquist, John M HerbertPhysical 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 HerbertPageof 15