Ryan P. Steele
Ryan P. Steele
Verified email at utah.edu - Homepage
Title
Cited by
Cited by
Year
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
26772006
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
22772015
Potential energy curves for cation− π interactions: off-axis configurations are also attractive
MS Marshall, RP Steele, KS Thanthiriwatte, CD Sherrill
The Journal of Physical Chemistry A 113 (48), 13628-13632, 2009
1462009
The initial and final states of electron and energy transfer processes: Diabatization as motivated by system-solvent interactions
JE Subotnik, RJ Cave, RP Steele, N Shenvi
The Journal of chemical physics 130 (23), 234102, 2009
1412009
An improved algorithm for analytical gradient evaluation in resolution‐of‐the‐identity second‐order Møller‐Plesset perturbation theory: Application to alanine tetrapeptide …
RA Distasio Jr, RP Steele, YM Rhee, Y Shao, M Head‐Gordon
Journal of Computational Chemistry 28 (5), 839-856, 2007
1382007
On the T-shaped structures of the benzene dimer
RA DiStasio Jr, G von Helden, RP Steele, M Head-Gordon
Chemical physics letters 437 (4-6), 277-283, 2007
1352007
Dual-basis second-order Møller-Plesset perturbation theory: A reduced-cost reference for correlation calculations
RP Steele, RA DiStasio Jr, Y Shao, J Kong, M Head-Gordon
The Journal of chemical physics 125 (7), 074108, 2006
1132006
How the shape of an H-bonded network controls proton-coupled water activation in HONO formation
RA Relph, TL Guasco, BM Elliott, MZ Kamrath, AB McCoy, RP Steele, ...
Science 327 (5963), 308-312, 2010
1032010
Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinates
X Cheng, RP Steele
The Journal of chemical physics 141 (10), 104105, 2014
932014
Advances in methods and algorithms in a modern quantum chemistry program package
JM Herbert, C Yeh Lin, T Van Voorhis, S Hung Chien, A Sodt, RP Steele, ...
Phys. Chem. Chem. Phys 8, 3172, 2006
922006
Monitoring Water Clusters “Melt” Through Vibrational Spectroscopy
SE Brown, AW Götz, X Cheng, RP Steele, VA Mandelshtam, F Paesani
Journal of the American Chemical Society 139 (20), 7082-7088, 2017
582017
Q-Chem, version 3.0. Q-chem
Y Shao, L Fusti-Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Inc.: Pittsburgh, PA, 2007
582007
Non-covalent interactions with dual-basis methods: Pairings for augmented basis sets
RP Steele, RA DiStasio Jr, M Head-Gordon
Journal of Chemical Theory and Computation 5 (6), 1560-1572, 2009
522009
Dual-basis analytic gradients. 1. Self-consistent field theory
RP Steele, Y Shao, RA DiStasio, M Head-Gordon
The Journal of Physical Chemistry A 110 (51), 13915-13922, 2006
442006
Tuning vibrational mode localization with frequency windowing
X Cheng, JJ Talbot, RP Steele
The Journal of Chemical Physics 145 (12), 124112, 2016
392016
Structural Progression in Clusters of Ionized Water,(H2O) n= 1–5+
JD Herr, J Talbot, RP Steele
The Journal of Physical Chemistry A 119 (4), 752-766, 2015
392015
The analytical gradient of dual-basis resolution-of-the-identity second-order Møller–Plesset perturbation theory
RA Distasio Jr, RP Steele, M Head-Gordon
Molecular Physics 105 (19-22), 2731-2742, 2007
382007
Dual-basis self-consistent field methods: 6-31G* calculations with a minimal 6-4G primary basis
RP Steele, M Head-Gordon
Molecular Physics 105 (19-22), 2455-2473, 2007
352007
Vibrational Signatures of Conformer-Specific Intramolecular Interactions in Protonated Tryptophan
AY Pereverzev, X Cheng, NS Nagornova, DL Reese, RP Steele, ...
The Journal of Physical Chemistry A 120 (28), 5598-5608, 2016
332016
Advances in quantum chemical methods and algorithms in the Q-Chem 3.0 program package
Y Shao, L Fusti-Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Phys. Chem. Chem. Phys 8, 3172-3191, 2006
332006
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