Search research articles
Contact Us
Filters
Showing results (1-10 of 23) with videos related to
Page
of 3
Sort By:
The Journal of Physical Chemistry. A
|
February 1, 2021
Heterogeneous Intramolecular Electric Field as a Descriptor of Diels-Alder Reactivity
Matthew R Hennefarth, Anastassia N Alexandrova
Current Opinion in Structural Biology
|
July 19, 2021
Advances in optimizing enzyme electrostatic preorganization
Matthew R Hennefarth, Anastassia N Alexandrova
Journal of Chemical Theory and Computation
|
October 9, 2024
Semiclassical Nonadiabatic Molecular Dynamics Using Linearized Pair-Density Functional Theory
Matthew R Hennefarth, Donald G Truhlar, Laura Gagliardi
Journal of Chemical Theory and Computation
|
October 25, 2023
Linearized Pair-Density Functional Theory for Vertical Excitation Energies
Matthew R Hennefarth, Daniel S King, Laura Gagliardi
ACS Catalysis
|
May 20, 2021
The Case for Enzymatic Competitive Metal Affinity Methods
David J Reilley, Matthew R Hennefarth, Anastassia N Alexandrova
Journal of Chemical Theory and Computation
|
September 3, 2021
Machine Learning to Predict Diels-Alder Reaction Barriers from the Reactant State Electron Density
Santiago Vargas, Matthew R Hennefarth, Zhihao Liu, et al.
Journal of Chemical Theory and Computation
|
December 15, 2021
Correction to Machine Learning to Predict Diels-Alder Reaction Barriers from the Reactant State Electron Density
Santiago Vargas, Matthew R Hennefarth, Zhihao Liu, et al.
Journal of Chemical Theory and Computation
|
April 19, 2024
Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory
Matthew R Hennefarth, Matthew R Hermes, Donald G Truhlar, et al.
The Journal of Physical Chemistry Letters
|
September 30, 2025
Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional Theory
Helen S Clifford, Matthew R Hennefarth, Donald G Truhlar, et al.
Journal of Chemical Theory and Computation
|
May 19, 2023
Linearized Pair-Density Functional Theory
Matthew R Hennefarth, Matthew R Hermes, Donald G Truhlar, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
February 1, 2021
Heterogeneous Intramolecular Electric Field as a Descriptor of Diels-Alder Reactivity
Matthew R Hennefarth, Anastassia N Alexandrova
Current Opinion in Structural Biology
|
July 19, 2021
Advances in optimizing enzyme electrostatic preorganization
Matthew R Hennefarth, Anastassia N Alexandrova
Journal of Chemical Theory and Computation
|
October 9, 2024
Semiclassical Nonadiabatic Molecular Dynamics Using Linearized Pair-Density Functional Theory
Matthew R Hennefarth, Donald G Truhlar, Laura Gagliardi
Journal of Chemical Theory and Computation
|
October 25, 2023
Linearized Pair-Density Functional Theory for Vertical Excitation Energies
Matthew R Hennefarth, Daniel S King, Laura Gagliardi
ACS Catalysis
|
May 20, 2021
The Case for Enzymatic Competitive Metal Affinity Methods
David J Reilley, Matthew R Hennefarth, Anastassia N Alexandrova
Journal of Chemical Theory and Computation
|
September 3, 2021
Machine Learning to Predict Diels-Alder Reaction Barriers from the Reactant State Electron Density
Santiago Vargas, Matthew R Hennefarth, Zhihao Liu, et al.
Journal of Chemical Theory and Computation
|
December 15, 2021
Correction to Machine Learning to Predict Diels-Alder Reaction Barriers from the Reactant State Electron Density
Santiago Vargas, Matthew R Hennefarth, Zhihao Liu, et al.
Journal of Chemical Theory and Computation
|
April 19, 2024
Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory
Matthew R Hennefarth, Matthew R Hermes, Donald G Truhlar, et al.
The Journal of Physical Chemistry Letters
|
September 30, 2025
Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional Theory
Helen S Clifford, Matthew R Hennefarth, Donald G Truhlar, et al.
Journal of Chemical Theory and Computation
|
May 19, 2023
Linearized Pair-Density Functional Theory
Matthew R Hennefarth, Matthew R Hermes, Donald G Truhlar, et al.
Page
of 3