Ryan P. Steele, Ph.D.

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Yang EL, Spencer RJ, Zhanserkeev AA, et al. (2023) Accelerating and stabilizing the convergence of vibrational self-consistent field calculations via the direct inversion of the iterative subspace (vDIIS) algorithm. The Journal of Chemical Physics. 159
Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801
Zhanserkeev AA, Talbot JJ, Steele RP. (2021) Adiabatic Molecular Orbital Tracking in Molecular Dynamics. Journal of Chemical Theory and Computation. 17: 4675-4685
Riera M, Talbot JJ, Steele RP, et al. (2020) Infrared signatures of isomer selectivity and symmetry breaking in the Cs(HO) complex using many-body potential energy functions. The Journal of Chemical Physics. 153: 044306
Christensen EG, Steele RP. (2020) Stepwise Activation of Water by Open-Shell Interactions, Cl(HO). The Journal of Physical Chemistry. A
Talbot JJ, Yang N, Huang M, et al. (2020) Spectroscopic Signatures of Mode-Dependent Tunnel Splitting in the Iodide-Water Binary Complex. The Journal of Physical Chemistry. A
Christensen EG, Steele RP. (2019) Probing the Partial Activation of Water by Open-Shell Interactions, Cl(HO). The Journal of Physical Chemistry. A
Reese DL, Steele RP. (2019) Nuclear Motion in the Intramolecular Dihydrogen-Bound Regime of an Aminoborane Complex. The Journal of Physical Chemistry. A
Brown SE, Götz AW, Cheng X, et al. (2017) Monitoring Water Clusters "Melt" Through Vibrational Spectroscopy. Journal of the American Chemical Society
Herr JD, Steele RP. (2016) Signatures of Size-Dependent Structural Patterns in Hydrated Copper(I) Clusters, Cu(+)(H2O)n=1-10. The Journal of Physical Chemistry. A