Paul R. Horn
Paul R. Horn
Verified email at berkeley.edu
Title
Cited by
Cited by
Year
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
18482015
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals
PR Horn, Y Mao, M Head-Gordon
Physical Chemistry Chemical Physics 18 (33), 23067-23079, 2016
1262016
Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: Theory and applications to intermolecular interactions involving radicals
PR Horn, EJ Sundstrom, TA Baker, M Head-Gordon
The Journal of Chemical Physics 138 (13), 134119, 2013
822013
Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies
PR Horn, Y Mao, M Head-Gordon
The Journal of chemical physics 144 (11), 114107, 2016
702016
Polarization contributions to intermolecular interactions revisited with fragment electric-field response functions
PR Horn, M Head-Gordon
The Journal of chemical physics 143 (11), 114111, 2015
622015
Examination of the hydrogen-bonding networks in small water clusters (n= 2–5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis
EA Cobar, PR Horn, RG Bergman, M Head-Gordon
Physical Chemistry Chemical Physics 14 (44), 15328-15339, 2012
592012
Useful lower limits to polarization contributions to intermolecular interactions using a minimal basis of localized orthogonal orbitals: Theory and analysis of the water dimer
RJ Azar, PR Horn, EJ Sundstrom, M Head-Gordon
The Journal of Chemical Physics 138 (8), 084102, 2013
472013
Energy decomposition analysis in an adiabatic picture
Y Mao, PR Horn, M Head-Gordon
Physical Chemistry Chemical Physics 19 (8), 5944-5958, 2017
392017
This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
B. Austin, GJO Beran, YA Bernard, E. Berquist, K. Brandhorst, KB Bravaya, ST …, 2015
36*2015
Fast, accurate evaluation of exact exchange: The occ-RI-K algorithm
S Manzer, PR Horn, N Mardirossian, M Head-Gordon
The Journal of chemical physics 143 (2), 024113, 2015
352015
Variational energy decomposition analysis of chemical bonding. 1. Spin-pure analysis of single bonds
DS Levine, PR Horn, Y Mao, M Head-Gordon
Journal of chemical theory and computation 12 (10), 4812-4820, 2016
322016
Alternative definitions of the frozen energy in energy decomposition analysis of density functional theory calculations
PR Horn, M Head-Gordon
The Journal of chemical physics 144 (8), 084118, 2016
312016
On the computational characterization of charge-transfer effects in noncovalently bound molecular complexes
Y Mao, Q Ge, PR Horn, M Head-Gordon
Journal of chemical theory and computation 14 (5), 2401-2417, 2018
292018
Spin–flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules
NJ Mayhall, PR Horn, EJ Sundstrom, M Head-Gordon
Physical Chemistry Chemical Physics 16 (41), 22694-22705, 2014
242014
Dissociative photoionization of glycerol and its dimer occurs predominantly via a ternary hydrogen-bridged ion–molecule complex
F Bell, QN Ruan, A Golan, PR Horn, M Ahmed, SR Leone, ...
Journal of the American Chemical Society 135 (38), 14229-14239, 2013
242013
A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interaction
AW Hauser, PR Horn, M Head-Gordon, AT Bell
Physical Chemistry Chemical Physics 18 (16), 10906-10917, 2016
212016
Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementation
Y Mao, PR Horn, N Mardirossian, T Head-Gordon, CK Skylaris, ...
The Journal of chemical physics 145 (4), 044109, 2016
162016
Conformational preferences of β-carotene in the confined spaces inside carbon nanotubes
P Horn, M Kertesz
The Journal of Physical Chemistry C 114 (28), 12139-12144, 2010
152010
Probing Radical-Molecule Interactions with a Second Generation Energy Decomposition Analysis of DFT Calculations Using Absolutely Localized Molecular Orbitals
Y Mao, DS Levine, M Loipersberger, P Horn, M Head-Gordon
Physical Chemistry Chemical Physics, 2020
42020
Improvements in Energy Decomposition Analysis for Single Determinant Methods
PR Horn
UC Berkeley, 2015
32015
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Articles 1–20