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The Journal of Chemical Physics
|
February 22, 2024
Correlation consistent basis sets designed for density functional theory: Third-row atoms (Ga-Br)
John J Determan, Angela K Wilson
The Journal of Physical Chemistry. A
|
January 8, 2011
Modeling the photophysics of Zn and Cd monomers, metallophilic dimers, and covalent excimers
John J Determan, Mohammad A Omary, Angela K Wilson
The Journal of Physical Chemistry. A
|
April 30, 2014
Tunable fictitious substituent effects on the π-π interactions of substituted sandwich benzene dimers
Amee M Garcia, John J Determan, Benjamin G Janesko
The Journal of Physical Chemistry. A
|
November 24, 2011
Toward accurate theoretical thermochemistry of first row transition metal complexes
Wanyi Jiang, Nathan J DeYonker, John J Determan, et al.
In Silico Pharmacology
|
April 23, 2024
Bioactive compounds from <i>Morchella esculenta</i> as potential inhibitors of RNA-binding protein La in ovarian cancer: a molecular modeling and quantum mechanics approach
Gbenga Dairo, Matthew N Ward, Mette Soendergaard, et al.
Journal of Chemical Theory and Computation
|
September 7, 2017
Comparative Study of Nonhybrid Density Functional Approximations for the Prediction of 3d Transition Metal Thermochemistry
John J Determan, Katelyn Poole, Giovanni Scalmani, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
February 22, 2024
Correlation consistent basis sets designed for density functional theory: Third-row atoms (Ga-Br)
John J Determan, Angela K Wilson
The Journal of Physical Chemistry. A
|
January 8, 2011
Modeling the photophysics of Zn and Cd monomers, metallophilic dimers, and covalent excimers
John J Determan, Mohammad A Omary, Angela K Wilson
The Journal of Physical Chemistry. A
|
April 30, 2014
Tunable fictitious substituent effects on the π-π interactions of substituted sandwich benzene dimers
Amee M Garcia, John J Determan, Benjamin G Janesko
The Journal of Physical Chemistry. A
|
November 24, 2011
Toward accurate theoretical thermochemistry of first row transition metal complexes
Wanyi Jiang, Nathan J DeYonker, John J Determan, et al.
In Silico Pharmacology
|
April 23, 2024
Bioactive compounds from <i>Morchella esculenta</i> as potential inhibitors of RNA-binding protein La in ovarian cancer: a molecular modeling and quantum mechanics approach
Gbenga Dairo, Matthew N Ward, Mette Soendergaard, et al.
Journal of Chemical Theory and Computation
|
September 7, 2017
Comparative Study of Nonhybrid Density Functional Approximations for the Prediction of 3d Transition Metal Thermochemistry
John J Determan, Katelyn Poole, Giovanni Scalmani, et al.
Page
of 1