Justin Turney
Justin Turney
Senior Research Scientist, CCQC, University of Georgia
Verified email at uga.edu
Title
Cited by
Cited by
Year
Psi4: an open‐source ab initio electronic structure program
JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 556-565, 2012
737*2012
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ...
Journal of chemical theory and computation 13 (7), 3185-3197, 2017
5832017
Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: Investigating the fundamental forces of DNA …
EG Hohenstein, RM Parrish, CD Sherrill, JM Turney, HF Schaefer III
The Journal of chemical physics 135 (17), 174107, 2011
1292011
Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset …
U Bozkaya, JM Turney, Y Yamaguchi, HF Schaefer III, CD Sherrill
The Journal of chemical physics 135 (10), 104103, 2011
862011
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
DGA Smith, LA Burns, DA Sirianni, DR Nascimento, A Kumar, AM James, ...
Journal of chemical theory and computation 14 (7), 3504-3511, 2018
522018
The barrier height, unimolecular rate constant, and lifetime for the dissociation of
U Bozkaya, JM Turney, Y Yamaguchi, HF Schaefer III
The Journal of chemical physics 132 (6), 064308, 2010
332010
The ethyl radical in superfluid helium nanodroplets: Rovibrational spectroscopy and ab initio computations
PL Raston, J Agarwal, JM Turney, HF Schaefer III, GE Douberly
The Journal of Chemical Physics 138 (19), 194303, 2013
312013
The lowest-lying electronic singlet and triplet potential energy surfaces for the HNO–NOH system: Energetics, unimolecular rate constants, tunneling and kinetic isotope effects …
U Bozkaya, JM Turney, Y Yamaguchi, HF Schaefer III
The Journal of Chemical Physics 136 (16), 164303, 2012
262012
PES-Learn: An open-source software package for the automated generation of machine learning models of molecular potential energy surfaces
AS Abbott, JM Turney, B Zhang, DGA Smith, D Altarawy, HF Schaefer III
Journal of chemical theory and computation 15 (8), 4386-4398, 2019
142019
Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne
JB Ingels, JM Turney, NA Richardson, Y Yamaguchi, HF Schaefer III
The Journal of chemical physics 125 (10), 104306, 2006
122006
Psi4 1.4: Open-source software for high-throughput quantum chemistry
DGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ...
The Journal of Chemical Physics 152 (18), 184108, 2020
112020
A comparison between hydrogen and halogen bonding: the hypohalous acid–water dimers, HOX⋯ H 2 O (X= F, Cl, Br)
ME Wolf, B Zhang, JM Turney, HF Schaefer
Physical Chemistry Chemical Physics 21 (11), 6160-6170, 2019
112019
Structural distortions accompanying noncovalent interactions: Methane–water, the simplest C–H hydrogen bond
HI Rivera-Arrieta, JM Turney, HF Schaefer III
Journal of Chemical Theory and Computation 13 (3), 1478-1485, 2017
112017
Analytic energy gradients for variational two-electron reduced-density-matrix-driven complete active space self-consistent field theory
E Maradzike, G Gidofalvi, JM Turney, HF Schaefer III, AE DePrince III
Journal of Chemical Theory and Computation 13 (9), 4113-4122, 2017
92017
Reaction Energetics for the Abstraction Process C2H3 + H2 → C2H4 + H
J Agarwal, JM Turney, HF Schaefer III
The Journal of Physical Chemistry Letters 2 (20), 2587-2592, 2011
92011
The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them
JM Turney, L Sari, Y Yamaguchi, HF Schaefer III
The Journal of chemical physics 122 (9), 094304, 2005
92005
The fate of the tert-butyl radical in low-temperature autoignition reactions
KB Moore III, JM Turney, HF Schaefer III
The Journal of Chemical Physics 146 (19), 194304, 2017
82017
Investigating the ground-state rotamers of n-propylperoxy radical
PR Hoobler, JM Turney, HF Schaefer
The Journal of chemical physics 145 (17), 174301, 2016
82016
Rovibrational energy levels for the electronic ground state of AlOH
NC Handy, S Carter, Y Yamaguchi, S Li, JM Turney, HF Schaefer
Chemical physics letters 427 (1-3), 14-17, 2006
82006
Spin-adapted formulation and implementation of density cumulant functional theory with density-fitting approximation: Application to transition metal compounds
X Wang, AY Sokolov, JM Turney, HF Schaefer
Journal of chemical theory and computation 12 (10), 4833-4842, 2016
72016
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