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Journal of Chemical Theory and Computation
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September 23, 2024
Automatic Differentiation for Explicitly Correlated MP2
Erica C Mitchell, Justin M Turney, Henry F Schaefer
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 30, 2021
Group 15 and 16 Nitrene-Like Pnictinidenes
Erica C Mitchell, Mark E Wolf, Justin M Turney, et al.
The Journal of Physical Chemistry. A
|
November 16, 2022
Application of Multiconfiguration Pair-Density Functional Theory to the Diels-Alder Reaction
Erica C Mitchell, Thais R Scott, Jie J Bao, et al.
The Journal of Physical Chemistry. A
|
December 6, 2024
Evaluating the Importance of Conformers for Understanding the Vacuum-Ultraviolet Spectra of Oxiranes: Experiment and Theory
Ian T Beck, Erica C Mitchell, Annabelle Webb Hill, et al.
Journal of Computational Chemistry
|
November 8, 2025
Hydrogen Bond Benchmark: Focal-Point Analysis and Assessment of DFT Functionals
Erica C Mitchell, Lucas Azevedo Santos, Pascal Vermeeren, et al.
The Journal of Physical Chemistry. A
|
April 25, 2023
Simulation of the VUV Absorption Spectra of Oxygenates and Hydrocarbons: A Joint Theoretical-Experimental Study
Addison K Bralick, Erica C Mitchell, Anna C Doner, et al.
Page
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Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
September 23, 2024
Automatic Differentiation for Explicitly Correlated MP2
Erica C Mitchell, Justin M Turney, Henry F Schaefer
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 30, 2021
Group 15 and 16 Nitrene-Like Pnictinidenes
Erica C Mitchell, Mark E Wolf, Justin M Turney, et al.
The Journal of Physical Chemistry. A
|
November 16, 2022
Application of Multiconfiguration Pair-Density Functional Theory to the Diels-Alder Reaction
Erica C Mitchell, Thais R Scott, Jie J Bao, et al.
The Journal of Physical Chemistry. A
|
December 6, 2024
Evaluating the Importance of Conformers for Understanding the Vacuum-Ultraviolet Spectra of Oxiranes: Experiment and Theory
Ian T Beck, Erica C Mitchell, Annabelle Webb Hill, et al.
Journal of Computational Chemistry
|
November 8, 2025
Hydrogen Bond Benchmark: Focal-Point Analysis and Assessment of DFT Functionals
Erica C Mitchell, Lucas Azevedo Santos, Pascal Vermeeren, et al.
The Journal of Physical Chemistry. A
|
April 25, 2023
Simulation of the VUV Absorption Spectra of Oxygenates and Hydrocarbons: A Joint Theoretical-Experimental Study
Addison K Bralick, Erica C Mitchell, Anna C Doner, et al.
Page
of 1