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The Journal of Chemical Physics
|
November 5, 2005
Improvement of semiempirical response properties with charge-dependent response density
Timothy J Giese, Darrin M York
The Journal of Chemical Physics
|
February 20, 2008
Contracted auxiliary Gaussian basis integral and derivative evaluation
Timothy J Giese, Darrin M York
Theoretical Chemistry Accounts
|
June 14, 2016
Density-functional expansion methods: Grand challenges
Timothy J Giese, Darrin M York
Journal of Computational Chemistry
|
April 25, 2008
Extension of adaptive tree code and fast multipole methods to high angular momentum particle charge densities
Timothy J Giese, Darrin M York
The Journal of Chemical Physics
|
May 24, 2011
Density-functional expansion methods: generalization of the auxiliary basis
Timothy J Giese, Darrin M York
Journal of Chemical Theory and Computation
|
February 2, 2021
Variational Method for Networkwide Analysis of Relative Ligand Binding Free Energies with Loop Closure and Experimental Constraints
Timothy J Giese, Darrin M York
The Journal of Chemical Physics
|
May 1, 2023
Estimation of frequency factors for the calculation of kinetic isotope effects from classical and path integral free energy simulations
Timothy J Giese, Darrin M York
The Journal of Physical Chemistry. A
|
October 27, 2022
Multireference Generalization of the Weighted Thermodynamic Perturbation Method
Timothy J Giese, Jinzhe Zeng, Darrin M York
Molecules (Basel, Switzerland)
|
June 19, 2024
Electronic and Nuclear Quantum Effects on Proton Transfer Reactions of Guanine-Thymine (G-T) Mispairs Using Combined Quantum Mechanical/Molecular Mechanical and Machine Learning Potentials
Yujun Tao, Timothy J Giese, Darrin M York
The Journal of Physical Chemistry. B
|
May 26, 2025
Transferability of MACE Graph Neural Network for Range Corrected Δ-Machine Learning Potential QM/MM Applications
Timothy J Giese, Jinzhe Zeng, Darrin M York
Page
of 7
Search research articles
Search
Showing results (11-20 of 63) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
November 5, 2005
Improvement of semiempirical response properties with charge-dependent response density
Timothy J Giese, Darrin M York
The Journal of Chemical Physics
|
February 20, 2008
Contracted auxiliary Gaussian basis integral and derivative evaluation
Timothy J Giese, Darrin M York
Theoretical Chemistry Accounts
|
June 14, 2016
Density-functional expansion methods: Grand challenges
Timothy J Giese, Darrin M York
Journal of Computational Chemistry
|
April 25, 2008
Extension of adaptive tree code and fast multipole methods to high angular momentum particle charge densities
Timothy J Giese, Darrin M York
The Journal of Chemical Physics
|
May 24, 2011
Density-functional expansion methods: generalization of the auxiliary basis
Timothy J Giese, Darrin M York
Journal of Chemical Theory and Computation
|
February 2, 2021
Variational Method for Networkwide Analysis of Relative Ligand Binding Free Energies with Loop Closure and Experimental Constraints
Timothy J Giese, Darrin M York
The Journal of Chemical Physics
|
May 1, 2023
Estimation of frequency factors for the calculation of kinetic isotope effects from classical and path integral free energy simulations
Timothy J Giese, Darrin M York
The Journal of Physical Chemistry. A
|
October 27, 2022
Multireference Generalization of the Weighted Thermodynamic Perturbation Method
Timothy J Giese, Jinzhe Zeng, Darrin M York
Molecules (Basel, Switzerland)
|
June 19, 2024
Electronic and Nuclear Quantum Effects on Proton Transfer Reactions of Guanine-Thymine (G-T) Mispairs Using Combined Quantum Mechanical/Molecular Mechanical and Machine Learning Potentials
Yujun Tao, Timothy J Giese, Darrin M York
The Journal of Physical Chemistry. B
|
May 26, 2025
Transferability of MACE Graph Neural Network for Range Corrected Δ-Machine Learning Potential QM/MM Applications
Timothy J Giese, Jinzhe Zeng, Darrin M York
Page
of 7