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Journal of Chemical Theory and Computation|July 30, 2016
Reparameterization of an Accurate, Few-Parameter Implicit Solvation Model for Quantum Chemistry: Composite Method for Implicit Representation of Solvent, CMIRS v. 1.1Zhi-Qiang You, John M HerbertProceedings of the National Academy of Sciences of the United States of America|September 16, 2006
First-principles, quantum-mechanical simulations of electron solvation by a water clusterJohn M Herbert, Martin Head-GordonThe Journal of Physical Chemistry. A|July 13, 2006
Calculation of electron detachment energies for water cluster anions: an appraisal of electronic structure methods, with application to (H2O)20- AND (H2O)24-John M Herbert, Martin Head-GordonThe Journal of Chemical Physics|June 17, 2018
Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interfaceMarc P Coons, John M HerbertThe Journal of Physical Chemistry. A|January 27, 2021
Electrostatics, Charge Transfer, and the Nature of the Halide-Water Hydrogen BondJohn M Herbert, Kevin Carter-FenkPhysical Chemistry Chemical Physics : PCCP|February 17, 2006
Accuracy and limitations of second-order many-body perturbation theory for predicting vertical detachment energies of solvated-electron clustersJohn M Herbert, Martin Head-GordonJournal of Chemical Theory and Computation|November 21, 2015
Many-Body Expansion with Overlapping Fragments: Analysis of Two ApproachesRyan M Richard, John M HerbertJournal of the American Chemical Society|October 19, 2006
Charge penetration and the origin of large O-H vibrational red-shifts in hydrated-electron clusters, (H2O)n-John M Herbert, Martin Head-GordonJournal of the American Chemical Society|July 9, 2010
Polarization-bound quasi-continuum states are responsible for the "blue tail" in the optical absorption spectrum of the aqueous electronLeif D Jacobson, John M HerbertThe Journal of Physical Chemistry. A|June 20, 2008
Influence of structure on electron correlation effects and electron-water dispersion interactions in anionic water clustersChristopher F Williams, John M HerbertPageof 15