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Journal of the American Chemical Society
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July 9, 2010
Polarization-bound quasi-continuum states are responsible for the "blue tail" in the optical absorption spectrum of the aqueous electron
Leif D Jacobson, John M Herbert
The Journal of Chemical Physics
|
March 10, 2011
An efficient, fragment-based electronic structure method for molecular systems: self-consistent polarization with perturbative two-body exchange and dispersion
Leif D Jacobson, John M Herbert
The Journal of Chemical Physics
|
October 26, 2010
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
Leif D Jacobson, John M Herbert
Journal of the American Chemical Society
|
October 27, 2011
Theoretical characterization of four distinct isomer types in hydrated-electron clusters, and proposed assignments for photoelectron spectra of water cluster anions
Leif D Jacobson, John M Herbert
The Journal of Physical Chemistry. A
|
October 29, 2011
Structure of the aqueous electron: assessment of one-electron pseudopotential models in comparison to experimental data and time-dependent density functional theory
John M Herbert, Leif D Jacobson
Journal of Chemical Theory and Computation
|
November 26, 2015
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
Leif D Jacobson, John M Herbert
Science (New York, N.Y.)
|
March 19, 2011
Comment on "Does the hydrated electron occupy a cavity?"
Leif D Jacobson, John M Herbert
Journal of Chemical Theory and Computation
|
December 12, 2023
Large Computational Survey of Intrinsic Reactivity of Aromatic Carbon Atoms with Respect to a Model Aldehyde Oxidase
Daniel S Levine, Leif D Jacobson, Art D Bochevarov
The Journal of Chemical Physics
|
April 2, 2009
The static-exchange electron-water pseudopotential, in conjunction with a polarizable water model: a new Hamiltonian for hydrated-electron simulations
Leif D Jacobson, Christopher F Williams, John M Herbert
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2012
Rapid computation of intermolecular interactions in molecular and ionic clusters: self-consistent polarization plus symmetry-adapted perturbation theory
John M Herbert, Leif D Jacobson, Ka Un Lao, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
Journal 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 electron
Leif D Jacobson, John M Herbert
The Journal of Chemical Physics
|
March 10, 2011
An efficient, fragment-based electronic structure method for molecular systems: self-consistent polarization with perturbative two-body exchange and dispersion
Leif D Jacobson, John M Herbert
The Journal of Chemical Physics
|
October 26, 2010
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
Leif D Jacobson, John M Herbert
Journal of the American Chemical Society
|
October 27, 2011
Theoretical characterization of four distinct isomer types in hydrated-electron clusters, and proposed assignments for photoelectron spectra of water cluster anions
Leif D Jacobson, John M Herbert
The Journal of Physical Chemistry. A
|
October 29, 2011
Structure of the aqueous electron: assessment of one-electron pseudopotential models in comparison to experimental data and time-dependent density functional theory
John M Herbert, Leif D Jacobson
Journal of Chemical Theory and Computation
|
November 26, 2015
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
Leif D Jacobson, John M Herbert
Science (New York, N.Y.)
|
March 19, 2011
Comment on "Does the hydrated electron occupy a cavity?"
Leif D Jacobson, John M Herbert
Journal of Chemical Theory and Computation
|
December 12, 2023
Large Computational Survey of Intrinsic Reactivity of Aromatic Carbon Atoms with Respect to a Model Aldehyde Oxidase
Daniel S Levine, Leif D Jacobson, Art D Bochevarov
The Journal of Chemical Physics
|
April 2, 2009
The static-exchange electron-water pseudopotential, in conjunction with a polarizable water model: a new Hamiltonian for hydrated-electron simulations
Leif D Jacobson, Christopher F Williams, John M Herbert
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2012
Rapid computation of intermolecular interactions in molecular and ionic clusters: self-consistent polarization plus symmetry-adapted perturbation theory
John M Herbert, Leif D Jacobson, Ka Un Lao, et al.
Page
of 2