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The Journal of Chemical Physics
|
October 27, 2016
Tuning vibrational mode localization with frequency windowing
Xiaolu Cheng, Justin J Talbot, Ryan P Steele
Journal of Chemical Theory and Computation
|
July 29, 2021
Adiabatic Molecular Orbital Tracking in <i>Ab Initio</i> Molecular Dynamics
Asylbek A Zhanserkeev, Justin J Talbot, Ryan P Steele
The Journal of Physical Chemistry Letters
|
June 7, 2023
A Free Energy Decomposition Analysis: Insight into Binding Thermodynamics from Absolutely Localized Molecular Orbitals
Justin J Talbot, Romit Chakraborty, Hengyuan Shen, 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 functions
Marc Riera, Justin J Talbot, 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 Cation
Justin J Talbot, Xiaolu Cheng, Jonathan D Herr, et al.
Journal of Chemical Theory and Computation
|
March 20, 2026
An Algorithm for Atom-Centered Lossy Compression of the Atomic Orbital Basis in Density Functional Theory Calculations
Anthony O Lara, Justin J Talbot, Zhe Wang, et al.
The Journal of Chemical Physics
|
November 27, 2023
Pitfalls in the n-mode representation of vibrational potentials
Emily L Yang, Justin J Talbot, Ryan J Spencer, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2022
Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, <i>ab initio</i> electronic states in the adiabatic representation
Justin J Talbot, Martin Head-Gordon, William H Miller, et al.
The Journal of Chemical Physics
|
November 2, 2023
Fantastical excited state optimized structures and where to find them
Justin J Talbot, Juan E Arias-Martinez, Stephen J Cotton, et al.
The Journal of Chemical Physics
|
August 22, 2023
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, et al.
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of 2
Search research articles
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Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
October 27, 2016
Tuning vibrational mode localization with frequency windowing
Xiaolu Cheng, Justin J Talbot, Ryan P Steele
Journal of Chemical Theory and Computation
|
July 29, 2021
Adiabatic Molecular Orbital Tracking in <i>Ab Initio</i> Molecular Dynamics
Asylbek A Zhanserkeev, Justin J Talbot, Ryan P Steele
The Journal of Physical Chemistry Letters
|
June 7, 2023
A Free Energy Decomposition Analysis: Insight into Binding Thermodynamics from Absolutely Localized Molecular Orbitals
Justin J Talbot, Romit Chakraborty, Hengyuan Shen, 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 functions
Marc Riera, Justin J Talbot, 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 Cation
Justin J Talbot, Xiaolu Cheng, Jonathan D Herr, et al.
Journal of Chemical Theory and Computation
|
March 20, 2026
An Algorithm for Atom-Centered Lossy Compression of the Atomic Orbital Basis in Density Functional Theory Calculations
Anthony O Lara, Justin J Talbot, Zhe Wang, et al.
The Journal of Chemical Physics
|
November 27, 2023
Pitfalls in the n-mode representation of vibrational potentials
Emily L Yang, Justin J Talbot, Ryan J Spencer, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2022
Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, <i>ab initio</i> electronic states in the adiabatic representation
Justin J Talbot, Martin Head-Gordon, William H Miller, et al.
The Journal of Chemical Physics
|
November 2, 2023
Fantastical excited state optimized structures and where to find them
Justin J Talbot, Juan E Arias-Martinez, Stephen J Cotton, et al.
The Journal of Chemical Physics
|
August 22, 2023
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, et al.
Page
of 2