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John M. Herbert

Chemistry and Biochemistry Ohio State University, Columbus, Columbus, OH 
Electronic structure theory and molecular quantum mechanics
"John M. Herbert"

Mean distance: 8.51


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John Edward Harriman grad student 2003 UW Madison
 (Reconstructive approaches to one-and two-electron density matrix theory)
Anne B. McCoy post-doc Ohio State
Martin Head-Gordon post-doc 2006 UC Berkeley


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Adrian W. Lange grad student 2012 Ohio State
Ryan M. Richard grad student 2013 Ohio State
Xing Zhang grad student 2011-2016
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Rana B, Herbert JM. (2020) Role of hemibonding in the structure and ultraviolet spectroscopy of the aqueous hydroxyl radical. Physical Chemistry Chemical Physics : Pccp
Aksu H, Paul SK, Herbert JM, et al. (2020) How Well Does a Solvated Octa-acid Capsule Shield the Embedded Chromophore? A Computational Analysis Based on an Anisotropic Dielectric Continuum Model. The Journal of Physical Chemistry. B. 124: 6998-7004
Stein CJ, Herbert JM, Head-Gordon M. (2019) The Poisson-Boltzmann model for implicit solvation of electrolyte solutions: Quantum chemical implementation and assessment via Sechenov coefficients. The Journal of Chemical Physics. 151: 224111
Liu KY, Herbert JM. (2019) Energy-Screened Many-Body Expansion: A Practical Yet Accurate Fragmentation Method for Quantum Chemistry. Journal of Chemical Theory and Computation
Paul SK, Coons MP, Herbert JM. (2019) Erratum: "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 interface" [J. Chem. Phys. 148, 222834 (2018)]. The Journal of Chemical Physics. 151: 189901
Dasgupta S, Rana B, Herbert JM. (2019) Ab Initio Investigation of the Resonance Raman Spectrum of the Hydrated Electron. The Journal of Physical Chemistry. B
Liu KY, Carter-Fenk K, Herbert JM. (2019) Self-consistent charge embedding at very low cost, with application to symmetry-adapted perturbation theory. The Journal of Chemical Physics. 151: 031102
Liu J, Rana B, Liu KY, et al. (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 Dynamics. The Journal of Physical Chemistry Letters. 3877-3886
Fenk K, Lao KU, Liu KY, et al. (2019) Accurate and Efficient ab Initio Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion. The Journal of Physical Chemistry Letters
Holden ZC, Rana B, Herbert JM. (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 electron. The Journal of Chemical Physics. 150: 144115
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