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The Journal of Physical Chemistry. A
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April 2, 2020
Attracting Opposites: Promiscuous Ion-π Binding in the Nucleobases
Brian G Ernst, Ka Un Lao, Andrew G Sullivan, et al.
The Journal of Physical Chemistry Letters
|
July 21, 2022
Uniting Nonempirical and Empirical Density Functional Approximation Strategies Using Constraint-Based Regularization
Zachary M Sparrow, Brian G Ernst, Trine K Quady, et al.
The Journal of Chemical Physics
|
November 14, 2021
NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts
Zachary M Sparrow, Brian G Ernst, Paul T Joo, et al.
Chemical Science
|
October 13, 2023
"Freedom of design" in chemical compound space: towards rational <i>in silico</i> design of molecules with targeted quantum-mechanical properties
Leonardo Medrano Sandonas, Johannes Hoja, Brian G Ernst, et al.
Scientific Data
|
February 3, 2021
QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
Johannes Hoja, Leonardo Medrano Sandonas, Brian G Ernst, et al.
Nature Chemistry
|
July 1, 2020
Dual electrocatalysis enables enantioselective hydrocyanation of conjugated alkenes
Lu Song, Niankai Fu, Brian G Ernst, et al.
Journal of the American Chemical Society
|
March 14, 2025
Designing Polymers with Molecular Weight Distribution-Based Machine Learning
Jenny Hu, Zachary M Sparrow, Brian G Ernst, et al.
Chemical Science
|
June 24, 2021
Expeditious synthesis of aromatic-free piperidinium-functionalized polyethylene as alkaline anion exchange membranes
Wei You, Jacob M Ganley, Brian G Ernst, et al.
The Journal of Physical Chemistry Letters
|
December 17, 2025
Learning Molecular Conformational Energies Using Semilocal Density Fingerprints
Zhuofan Shen, Yang Yang, Zachary M Sparrow, et al.
Chemical Reviews
|
February 8, 2022
Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies
Yao Yang, Cheyenne R Peltier, Rui Zeng, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. A
|
April 2, 2020
Attracting Opposites: Promiscuous Ion-π Binding in the Nucleobases
Brian G Ernst, Ka Un Lao, Andrew G Sullivan, et al.
The Journal of Physical Chemistry Letters
|
July 21, 2022
Uniting Nonempirical and Empirical Density Functional Approximation Strategies Using Constraint-Based Regularization
Zachary M Sparrow, Brian G Ernst, Trine K Quady, et al.
The Journal of Chemical Physics
|
November 14, 2021
NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts
Zachary M Sparrow, Brian G Ernst, Paul T Joo, et al.
Chemical Science
|
October 13, 2023
"Freedom of design" in chemical compound space: towards rational <i>in silico</i> design of molecules with targeted quantum-mechanical properties
Leonardo Medrano Sandonas, Johannes Hoja, Brian G Ernst, et al.
Scientific Data
|
February 3, 2021
QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
Johannes Hoja, Leonardo Medrano Sandonas, Brian G Ernst, et al.
Nature Chemistry
|
July 1, 2020
Dual electrocatalysis enables enantioselective hydrocyanation of conjugated alkenes
Lu Song, Niankai Fu, Brian G Ernst, et al.
Journal of the American Chemical Society
|
March 14, 2025
Designing Polymers with Molecular Weight Distribution-Based Machine Learning
Jenny Hu, Zachary M Sparrow, Brian G Ernst, et al.
Chemical Science
|
June 24, 2021
Expeditious synthesis of aromatic-free piperidinium-functionalized polyethylene as alkaline anion exchange membranes
Wei You, Jacob M Ganley, Brian G Ernst, et al.
The Journal of Physical Chemistry Letters
|
December 17, 2025
Learning Molecular Conformational Energies Using Semilocal Density Fingerprints
Zhuofan Shen, Yang Yang, Zachary M Sparrow, et al.
Chemical Reviews
|
February 8, 2022
Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies
Yao Yang, Cheyenne R Peltier, Rui Zeng, et al.
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of 1