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Ryan P Steele

Showing results (21-30 of 47) with videos related to

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Journal of Chemical Theory and Computation|April 28, 2026
Converging the <b><i>n</i></b>-Mode Representation of Anharmonic Molecular Vibrations via Local ModesRyan J Spencer, Emily L Yang, Ryan P Steele
The Journal of Physical Chemistry. A|October 14, 2010
Ab initio molecular dynamics with dual basis set methodsRyan P Steele, Martin Head-Gordon, John C Tully
The Journal of Physical Chemistry. A|April 21, 2021
Electronic Structure and Vibrational Signatures of the Delocalized Radical in Hydrated Clusters of Copper("II") Hydroxide CuOH<sup>+</sup>(H<sub>2</sub>O)<sub>0-2</sub>Elizabeth G Christensen, Kevin T Lutz, Ryan P Steele
Journal of Chemical Theory and Computation|August 9, 2023
Accelerating Anharmonic Spectroscopy Simulations via Local-Mode, Multilevel MethodsAsylbek A Zhanserkeev, Emily L Yang, Ryan P Steele
The Journal of Chemical Physics|February 24, 2011
Mixed time slicing in path integral simulationsRyan P Steele, Jill Zwickl, Philip Shushkov, et al.
The Journal of Chemical Physics|August 6, 2020
Infrared signatures of isomer selectivity and symmetry breaking in the Cs<sup>+</sup>(H<sub>2</sub>O)<sub>3</sub> complex using many-body potential energy functionsMarc Riera, Justin J Talbot, Ryan P Steele, et al.
The Journal of Physical Chemistry. A|December 22, 2006
Dual-basis analytic gradients. 1. Self-consistent field theoryRyan P Steele, Yihan Shao, Robert A DiStasio, et al.
The Journal of Chemical Physics|June 25, 2009
The initial and final states of electron and energy transfer processes: diabatization as motivated by system-solvent interactionsJoseph E Subotnik, Robert J Cave, Ryan P Steele, et al.
Journal of the American Chemical Society|August 17, 2016
Vibrational Signatures of Electronic Properties in Oxidized Water: Unraveling the Anomalous Spectrum of the Water Dimer CationJustin J Talbot, Xiaolu Cheng, Jonathan D Herr, et al.
The Journal of Chemical Physics|November 27, 2023
Pitfalls in the n-mode representation of vibrational potentialsEmily L Yang, Justin J Talbot, Ryan J Spencer, et al.
Pageof 5

Showing results (21-30 of 47) with videos related to

Sort By:
Pageof 5
Journal of Chemical Theory and Computation|April 28, 2026
Converging the <b><i>n</i></b>-Mode Representation of Anharmonic Molecular Vibrations via Local ModesRyan J Spencer, Emily L Yang, Ryan P Steele
The Journal of Physical Chemistry. A|October 14, 2010
Ab initio molecular dynamics with dual basis set methodsRyan P Steele, Martin Head-Gordon, John C Tully
The Journal of Physical Chemistry. A|April 21, 2021
Electronic Structure and Vibrational Signatures of the Delocalized Radical in Hydrated Clusters of Copper("II") Hydroxide CuOH<sup>+</sup>(H<sub>2</sub>O)<sub>0-2</sub>Elizabeth G Christensen, Kevin T Lutz, Ryan P Steele
Journal of Chemical Theory and Computation|August 9, 2023
Accelerating Anharmonic Spectroscopy Simulations via Local-Mode, Multilevel MethodsAsylbek A Zhanserkeev, Emily L Yang, Ryan P Steele
The Journal of Chemical Physics|February 24, 2011
Mixed time slicing in path integral simulationsRyan P Steele, Jill Zwickl, Philip Shushkov, et al.
The Journal of Chemical Physics|August 6, 2020
Infrared signatures of isomer selectivity and symmetry breaking in the Cs<sup>+</sup>(H<sub>2</sub>O)<sub>3</sub> complex using many-body potential energy functionsMarc Riera, Justin J Talbot, Ryan P Steele, et al.
The Journal of Physical Chemistry. A|December 22, 2006
Dual-basis analytic gradients. 1. Self-consistent field theoryRyan P Steele, Yihan Shao, Robert A DiStasio, et al.
The Journal of Chemical Physics|June 25, 2009
The initial and final states of electron and energy transfer processes: diabatization as motivated by system-solvent interactionsJoseph E Subotnik, Robert J Cave, Ryan P Steele, et al.
Journal of the American Chemical Society|August 17, 2016
Vibrational Signatures of Electronic Properties in Oxidized Water: Unraveling the Anomalous Spectrum of the Water Dimer CationJustin J Talbot, Xiaolu Cheng, Jonathan D Herr, et al.
The Journal of Chemical Physics|November 27, 2023
Pitfalls in the n-mode representation of vibrational potentialsEmily L Yang, Justin J Talbot, Ryan J Spencer, et al.
Pageof 5