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Physical Chemistry Chemical Physics : PCCP
|
June 24, 2014
Plasmon resonance analysis with configuration interaction
Emilie B Guidez, Christine M Aikens
The Journal of Physical Chemistry. A
|
December 7, 2023
Adaptive-Partitioning Multilayer Dynamics Simulations: 2. Implementations of the Permuted and Interpolated Adaptive-Partitioning Gradients
Anh L Tran, Emilie B Guidez, Hai Lin
The Journal of Physical Chemistry. A
|
January 9, 2016
Derivation and Implementation of the Gradient of the R(-7) Dispersion Interaction in the Effective Fragment Potential Method
Emilie B Guidez, Peng Xu, Mark S Gordon
Journal of the American Chemical Society
|
July 15, 2020
Why is Si<sub>2</sub>H<sub>2</sub> Not Linear? An Intrinsic Quasi-Atomic Bonding Analysis
Emilie B Guidez, Mark S Gordon, Klaus Ruedenberg
The Journal of Physical Chemistry. A
|
July 3, 2018
Benchmarking of the R<sup>-7</sup> Anisotropic Dispersion Energy Term on the S22 Dimer Test Set
Luke Schoeberle, Emilie B Guidez, Mark S Gordon
The Journal of Chemical Physics
|
July 3, 2014
Quantum coherent plasmon in silver nanowires: a real-time TDDFT study
Feizhi Ding, Emilie B Guidez, Christine M Aikens, et al.
Journal of Chemical Theory and Computation
|
August 27, 2021
Adaptive-Partitioning Multilayer Dynamics Simulations: 1. On-the-Fly Switch between Two Quantum Levels of Theory
Joani Mato, Adam W Duster, Emilie B Guidez, et al.
Journal of Chemical Theory and Computation
|
May 20, 2026
Hierarchical Truncations for Many-Body Expansion Potentials
Bryce M Westheimer, Mark S Gordon, Emilie B Guidez, et al.
The Journal of Physical Chemistry. A
|
March 31, 2018
Benchmarking the Effective Fragment Potential Dispersion Correction on the S22 Test Set
Shinae Kim, Chelsea M Kaliszewski, Emilie B Guidez, et al.
Journal of Chemical Theory and Computation
|
April 9, 2025
Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm
Megan Schlinsog, Tosaporn Sattasathuchana, Peng Xu, et al.
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of 2
Search research articles
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Showing results (11-20 of 20) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 20 results.
Physical Chemistry Chemical Physics : PCCP
|
June 24, 2014
Plasmon resonance analysis with configuration interaction
Emilie B Guidez, Christine M Aikens
The Journal of Physical Chemistry. A
|
December 7, 2023
Adaptive-Partitioning Multilayer Dynamics Simulations: 2. Implementations of the Permuted and Interpolated Adaptive-Partitioning Gradients
Anh L Tran, Emilie B Guidez, Hai Lin
The Journal of Physical Chemistry. A
|
January 9, 2016
Derivation and Implementation of the Gradient of the R(-7) Dispersion Interaction in the Effective Fragment Potential Method
Emilie B Guidez, Peng Xu, Mark S Gordon
Journal of the American Chemical Society
|
July 15, 2020
Why is Si<sub>2</sub>H<sub>2</sub> Not Linear? An Intrinsic Quasi-Atomic Bonding Analysis
Emilie B Guidez, Mark S Gordon, Klaus Ruedenberg
The Journal of Physical Chemistry. A
|
July 3, 2018
Benchmarking of the R<sup>-7</sup> Anisotropic Dispersion Energy Term on the S22 Dimer Test Set
Luke Schoeberle, Emilie B Guidez, Mark S Gordon
The Journal of Chemical Physics
|
July 3, 2014
Quantum coherent plasmon in silver nanowires: a real-time TDDFT study
Feizhi Ding, Emilie B Guidez, Christine M Aikens, et al.
Journal of Chemical Theory and Computation
|
August 27, 2021
Adaptive-Partitioning Multilayer Dynamics Simulations: 1. On-the-Fly Switch between Two Quantum Levels of Theory
Joani Mato, Adam W Duster, Emilie B Guidez, et al.
Journal of Chemical Theory and Computation
|
May 20, 2026
Hierarchical Truncations for Many-Body Expansion Potentials
Bryce M Westheimer, Mark S Gordon, Emilie B Guidez, et al.
The Journal of Physical Chemistry. A
|
March 31, 2018
Benchmarking the Effective Fragment Potential Dispersion Correction on the S22 Test Set
Shinae Kim, Chelsea M Kaliszewski, Emilie B Guidez, et al.
Journal of Chemical Theory and Computation
|
April 9, 2025
Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm
Megan Schlinsog, Tosaporn Sattasathuchana, Peng Xu, et al.
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of 2