Publications                                       Prof steele's google scholar page

The Near-Sightedness of Many-Body Interactions in Anharmonic Vibrational Couplings

Ryan J. Spencer,* Asylbek A. Zhanserkeev,* Emily L. Yang, and Ryan P. Steele
[Under Revision]                                   ACCESS Article

Infrared Multiple-Photon Dissociation Spectra of Cesiated Complexes of the Aliphatic Amino Acids: Challenges for Conformational-Space Calculations by Density Functional Theory

Peter B. Armentrout, Ryan P. Steele, Brandon C. Stevenson, Roland M. Jones, Jonathan Martens, Giel Berden, Jos Oomens
International Journal of Mass Spectrometry  |  Volume 498  |  Pages 117201  |  2024                                   ACCESS Article

IR Spectroscopic Characterization of [M,C,2H]⁺ (M=Ru and Rh) Products Formed by Reacting 4d Transition Metals with Oxirane: Spectroscopic Evidence for Multireference Character in RhCH₂⁺

Frank J. Wensink, Corry E. Smink, Brandon C. Stevenson, Ryan P. Steele, Joost M. Bakker, Peter B. Armentrout
Physical Chemistry Chemical Physics  |  [In Press]  |  Pages XXX  |  2024                                   ACCESS Article

Accelerating Anharmonic Spectroscopy Simulations via Local-Mode, Multilevel Methods

Asylbek A. Zhanserkeev, Emily L. Yang, and Ryan P. Steele
Journal of Chemical Theory and Computation  |  Volume 19  |  Pages 5572-5585  |  2023                                   ACCESS Article

Pitfalls in the n-Mode Representation of Vibrational Potentials

Emily L. Yang, Justin J. Talbot, Ryan J. Spencer, and Ryan P. Steele
Journal of Chemical Physics |  Volume 159  |  Pages 204104  |  2023                              ACCESS Article

Accelerating and Stabilizing the Convergence of Vibrational Self-Consistent Field Calculations via the Direct Inversion of the Iterative Subspace (vDIIS) Algorithm

Emily L. Yang, Ryan J. Spencer, Asylbek A. Zhanserkeev, Justin J. Talbot, and Ryan P. Steele

Journal of Chemical Physics  |  Volume 159  |  Pages 084103  |  2023                                      ACCESS Article

Persistence of a Delocalized Radical in Larger Clusters of Hydrated Copper (II) Hydroxide, CuOH⁺(H₂O)_3-7

Elizabeth G. Christensen, Kevin T. Lutz, Ryan J. Spencer, and Ryan P. Steele
Journal of Physical Chemistry A  |  Volume 127  |  Pages 6647-6659  |  2023                                      ACCESS Article

Structural, Thermodynamic, and Spectroscopic Evolution in the Hydration of Copper (II) Ions, Cu²⁺(H₂O)_2-8

Elizabeth G. Christensen and Ryan P. Steele
Journal of Physical Chemistry A  |  Volume 127  |  Pages 6660-6676  |  2023                                         ACCESS ARTICLE

Molecular Motion in the Interconverting σ-H2, Di-, and Tri-hydride Regimes: Mo(PH₃)₅H₂

Diana L. Reese and Ryan P. Steele
Journal of Physical Chemistry A  |  Volume 126  |  Pages 6834-6848  |  2022                                              ACCESS ARTICLE

Software for the Frontiers of Quantum Chemistry:
An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky (...and 219 other authors, including RPS...)
The Journal of Chemical Physics  |  Volume 155  |  Page 084801  |  2021                                                                               ACCESS Article

Adiabatic Molecular Orbital Tracking in ab initio Molecular Dynamics

Asylbek A. Zhanserkeev, Justin J. Talbot, and Ryan P. Steele
Journal of Chemical Theory & Computation  |  Volume 17  |  Pages 4675-4685  |  2021                                                     ACCESS ARTICLE

Role of Ligand-Bound CO₂ in the Hydrogenation of CO₂ to Formate with a (PNP)Mn Catalyst

Kevin Schlenker, Elizabeth G. Christensen, Asylbek A. Zhanserkeev, Gabriel R. McDonald, Emily L. Yang, Kevin T. Lutz, Ryan P. Steele, Ryan T. VanderLinden, Caroline T. Saouma
ACS Catalysis  |  Volume 11  |  Pages 8358-8369  |  2021                                                                                                                  ACCESS ARTICLE

Electronic Structure and Vibrational Signatures of the Delocalized Radical in Hydrated Clusters of Copper ("II") Hydroxide CuOH⁺(H₂O)_0-2

Elizabeth G. Christensen, Kevin T. Lutz, and Ryan P. Steele
Journal of Physical Chemistry A  |  Volume  125  |  Pages 3631-3645  |  2021                                                                         ACCESS article

Infrared Signatures of Isomer Selectivity and Symmetry Breaking in the Cs⁺(H₂O)₃ Complex Using Many-Body Potential Energy Functions

Marc Riera, Justin J. Talbot, Ryan P. Steele, and Francesco Paesani
The Journal of Chemical Physics  |  Volume 153  |  Page 044306  | 2020                                                                             Access article

Stepwise Activation of Water by Open-Shell Interactions, Cl(H₂O)_n=4-8,17

Elizabeth G. Christensen, Ryan P. Steele
Journal of Physical Chemistry A  |  Volume 124  |  Pages 3417-3437  |  2020                                                              access article

Spectroscopic Signatures of Mode-Dependent Tunnel Splitting in the Iodide-Water Binary Complex

Justin J. Talbot, Nan Yang, Meng Huang, Chinh H. Duong, Anne B. McCoy, Ryan P. Steele, Mark A. Johnson
Journal of Physical Chemistry A  |  Volume 124  |  Pages 2991-3001                                                                           access article

Probing the Partial Activation of Water by Open-Shell Interactions, Cl(H₂O)_1-4

Elizabeth G. Christensen and Ryan P. Steele
Journal of Physical Chemistry  |  Volume 123  |  Pages 8657-8673  |  2019                                                                             access article

Nuclear Motion in the Intramolecular Dihydrogen-Bound Regime of an Aminoborane Complex

Diana L. Reese and Ryan P. Steele
Journal of Physical Chemistry A  |  Volume 123  |  Pages 6547-6563  |  2019                                                                          access article

Monitoring Water Clusters "Melt" Through Vibrational Spectroscopy

Sandra E. Brown, Andreas W. Gotz, Xiaolu Cheng, Ryan P. Steele, Vladimir A. Mandelshtam, Francesco Paesani
Journal of the American Chemical Society  |  Volume 139  |  Pages 7082-7088  |  2017                                                       access article

Signatures of Size-Dependent Structural Patterns in Hydrated Copper(I) Clusters, Cu⁺(H₂O)_n=1-10

Jonathan D. Herr and Ryan P. Steele
Journal of Physical Chemistry A  |  Volume 120  |  Pages 10252-10263  |  2016                                                                         ACCESS ARTICLE

Tuning Vibrational Mode Localization with Frequency Windowing

Xiaolu Cheng, Justin J. Talbot, and Ryan P. Steele
The Journal of Chemical Physics  |  Volume 145  |  Page 124112  |  2016     

Accelerating ab initio Molecular Dynamics Methods by Linear Prediction Methods

Jonathan D. Herr and Ryan P. Steele
Chemical Physics Letters  |  Volume 661  |  Pages 42-47  |  2016                                                                                                access article

Ion-Radical Pair Separation in Larger Oxidized Water Clusters, (H₂O)⁺_n=6-21

Jonathan D. Herr and Ryan P. Steele
Journal of Physical Chemistry A  |  Volume 120  |  Pages 7225-7239  |  2016                                                                        access article

Vibrational Signatures of Electronic Properties in Oxidized Water:
Unraveling the anomalous spectrum of the water dimer cation

Justin J. Talbot, Xiaolu Cheng, Jonathan D. Herr, and Ryan P. Steele
Journal of the American Chemical Society  |  Volume 138  |  Pages 11936-11945  |  2016                                              access article

Vibrational Signatures of Conformer-Specific Intramolecular Interactions in Protonated Tryptophan

Aleksandr Y. Pereverzev, Xiaolu Cheng, Natalia S. Nagornova, Diana L. Reese, Ryan P. Steele, Oleg V. Boyarkin
Journal of Physical Chemistry A  |  Volume 120  |  Pages 5598-5608  |  2016                                                                       access article

Accelerating ab initio Path Integral Simulations via Imaginary Multiple-Timestepping

Xiaolu Cheng, Jonathan D. Herr, and Ryan P. Steele
Journal of Chemical Theory and Computation  |  Volume 12  |  Pages 1627-1638  |  2016                                             access article

Quantum Molecular Motion in the Mixed Ion-Radical Complex, [(H₂O)(H₂S)]⁺

Sarah D. Floris, Justin J. Talbot, Matthew J. Wilkinson, and Ryan P. Steele
Physical Chemistry Chemical Physics  |  Volume 18  |  Pages 27450-27459  |  2016                                                             access article

Consecutive Charging of a Molecule-on-Insulator Ensemble Using Single Electron Tunnelling Methods

Philipp Rahe, Ryan P. Steele, and Clayton C. Williams 
Nano Letters  |  Volume 16  |  Pages 911-916  |  2016                                                                                                                       access article