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Jacob J Wardzala

Showing results (1-10 of 6) with videos related to

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The Journal of Physical Chemistry. A|March 4, 2025
Automated Multireference Vertical Excitations for Transition-Metal CompoundsJacob J Wardzala, Daniel S King, Laura Gagliardi
ACS Central Science|April 29, 2024
Organic Reactivity Made Easy and Accurate with Automated Multireference CalculationsJacob J Wardzala, Daniel S King, Lawal Ogunfowora, et al.
Journal of Chemical Theory and Computation|June 2, 2022
Combined Deep Learning and Classical Potential Approach for Modeling Diffusion in UiO-66Siddarth K Achar, Jacob J Wardzala, Leonardo Bernasconi, et al.
Nanomaterials (Basel, Switzerland)|June 10, 2023
Calculation of Self, Corrected, and Transport Diffusivities of Isopropyl Alcohol in UiO-66Chinmay V Mhatre, Jacob J Wardzala, Priyanka B Shukla, et al.
Journal of the American Chemical Society|June 25, 2026
From Oxo to Oxyl to Biradical: Systematic Multireference Calculations of Methane Activation at MOF NodesJacob J Wardzala, Younghwan Kim, Rishu Khurana, et al.
Chemical Reviews|April 3, 2026
Multireference Methods for Chemistry and Materials Science: Automated Active Spaces, Efficient Dynamic Correlation, and Extended SystemsJacob J Wardzala, Matthew R Hennefarth, Valay Agarawal, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. A|March 4, 2025
Automated Multireference Vertical Excitations for Transition-Metal CompoundsJacob J Wardzala, Daniel S King, Laura Gagliardi
ACS Central Science|April 29, 2024
Organic Reactivity Made Easy and Accurate with Automated Multireference CalculationsJacob J Wardzala, Daniel S King, Lawal Ogunfowora, et al.
Journal of Chemical Theory and Computation|June 2, 2022
Combined Deep Learning and Classical Potential Approach for Modeling Diffusion in UiO-66Siddarth K Achar, Jacob J Wardzala, Leonardo Bernasconi, et al.
Nanomaterials (Basel, Switzerland)|June 10, 2023
Calculation of Self, Corrected, and Transport Diffusivities of Isopropyl Alcohol in UiO-66Chinmay V Mhatre, Jacob J Wardzala, Priyanka B Shukla, et al.
Journal of the American Chemical Society|June 25, 2026
From Oxo to Oxyl to Biradical: Systematic Multireference Calculations of Methane Activation at MOF NodesJacob J Wardzala, Younghwan Kim, Rishu Khurana, et al.
Chemical Reviews|April 3, 2026
Multireference Methods for Chemistry and Materials Science: Automated Active Spaces, Efficient Dynamic Correlation, and Extended SystemsJacob J Wardzala, Matthew R Hennefarth, Valay Agarawal, et al.
Pageof 1