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The Journal of Physical Chemistry Letters|August 18, 2021
Hidden Hemibonding in the Aqueous Hydroxyl RadicalBhaskar Rana, 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 Computational Chemistry|February 25, 2017
Standard grids for high-precision integration of modern density functionals: SG-2 and SG-3Saswata Dasgupta, John M HerbertThe Journal of Chemical Physics|February 16, 2015
Analytic derivative couplings in time-dependent density functional theory: Quadratic response theory versus pseudo-wavefunction approachXing Zhang, John M HerbertThe Journal of Physical Chemistry. A|July 15, 2020
<i>Ab Initio</i> Approach to Femtosecond Stimulated Raman Spectroscopy: Investigating Vibrational Modes Probed in Excited-State Relaxation of QuaterthiophenesSaswata Dasgupta, John M HerbertThe Journal of Physical Chemistry Letters|March 6, 2025
Simplified Tuning of Long-Range Corrected Time-Dependent Density Functional TheoryAniket Mandal, John M HerbertThe Journal of Chemical Physics|August 6, 2024
Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexesMontgomery Gray, John M HerbertPhysical Chemistry Chemical Physics : PCCP|November 27, 2020
Role of hemibonding in the structure and ultraviolet spectroscopy of the aqueous hydroxyl radicalBhaskar Rana, John M HerbertThe Journal of Physical Chemistry. A|February 17, 2012
Breakdown of the single-exchange approximation in third-order symmetry-adapted perturbation theoryKa Un Lao, John M HerbertThe Journal of Chemical Physics|June 7, 2011
A simple polarizable continuum solvation model for electrolyte solutionsAdrian W Lange, John M HerbertPageof 15