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The Journal of Physical Chemistry Letters|August 18, 2021
Hidden Hemibonding in the Aqueous Hydroxyl RadicalBhaskar Rana, 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. B|August 24, 2019
Ab Initio Investigation of the Resonance Raman Spectrum of the Hydrated ElectronSaswata Dasgupta, Bhaskar Rana, John M HerbertThe Journal of Physical Chemistry Letters|June 8, 2022
Detection and Correction of Delocalization Errors for Electron and Hole Polarons Using Density-Corrected DFTBhaskar Rana, Marc P Coons, John M HerbertThe Journal of Chemical Physics|April 15, 2019
Analytic gradient for the QM/MM-Ewald method using charges derived from the electrostatic potential: Theory, implementation, and application to ab initio molecular dynamics simulation of the aqueous electronZachary C Holden, Bhaskar Rana, John M HerbertThe Journal of Physical Chemistry Letters|June 29, 2019
Variational Formulation of the Generalized Many-Body Expansion with Self-Consistent Charge Embedding: Simple and Correct Analytic Energy Gradient for Fragment-Based ab Initio Molecular DynamicsJie Liu, Bhaskar Rana, Kuan-Yu Liu, 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 HerbertPageof 16