John Herbert
chemistry.osu.edu
0000-0002-1663-2278
87 papers found
Refreshing results…
Improving Generalized Born Models by Exploiting Connections to Polarizable Continuum Models. II. Corrections for Salt Effects
A generalized many-body expansion and a unified view of fragment-based methods in electronic structure theory
Improving Generalized Born Models by Exploiting Connections to Polarizable Continuum Models. I. An Improved Effective Coulomb Operator
Breakdown of the Single-Exchange Approximation in Third-Order Symmetry-Adapted Perturbation Theory
Rapid computation of intermolecular interactions in molecular and ionic clusters: Self-consistent polarization plus symmetry-adapted perturbation theory
Structure of the Aqueous Electron: Assessment of One-Electron Pseudopotential Models in Comparison to Experimental Data and Time-Dependent Density Functional Theory
Theoretical Characterization of Four Distinct Isomer Types in Hydrated-Electron Clusters, and Proposed Assignments for Photoelectron Spectra of Water Cluster Anions
A Simple Algorithm for Determining Orthogonal, Self-Consistent Excited-State Wave Functions for a State-Specific Hamiltonian: Application to the Optical Spectrum of the Aqueous Electron
Symmetric Versus Asymmetric Discretization of the Integral Equations in Polarizable Continuum Solvation Models
Comment on "Does the Hydrated Electron Occupy a Cavity?"
An efficient, fragment-based electronic structure method for molecular systems: Self-consistent polarization with perturbative two-body exchange and dispersion
Response to "Comment on 'A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: The switching/Gaussian approach'" [J. Chem. Phys. 134, 117101 (2011)]
A simple polarizable continuum solvation model for electrolyte solutions
Nature's most squishy ion: The important role of solvent polarization in the description of the hydrated electron
A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: The switching/Gaussian approach
Noncovalent Interactions in Extended Systems Described by the Effective Fragment Potential Method: Theory and Application to Nucleobase Oligomers
A One-Electron Model for the Aqueous Electron that Includes Many-Body Electron-Water Polarization: Bulk Equilibrium Structure, Vertical Electron Binding Energy, and Optical Absorption Spectrum
Polarization-Bound Quasi-Continuum States Are Responsible for the "Blue Tail" in the Optical Absorption Spectrum of the Aqueous Electron
Polarizable Continuum Reaction-Field Solvation Models Affording Smooth Potential Energy Surfaces
The Static-Exchange Electron–Water Pseudopotential, in Conjunction with a Polarizable Water Model: A New Hamiltonian for Hydrated-Electron Simulations
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