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Journal of Chemical Theory and Computation
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April 4, 2022
Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals
Benjamin Rudshteyn, John L Weber, Dilek Coskun, et al.
Journal of Chemical Theory and Computation
|
April 16, 2020
Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo
Benjamin Rudshteyn, Dilek Coskun, John L Weber, et al.
Journal of the American Chemical Society
|
April 4, 2026
The Curious Case of Dual Emission in 9,10-Bis(phenylethynyl)anthracene
Jakub K Sowa, Colette M Sullivan, Leon Otis, et al.
Chemical Science
|
June 24, 2021
<i>In silico</i> prediction of annihilators for triplet-triplet annihilation upconversion <i>via</i> auxiliary-field quantum Monte Carlo
John L Weber, Emily M Churchill, Steffen Jockusch, et al.
Journal of the American Chemical Society
|
August 16, 2023
Indolo[2,3-<i>b</i>]quinoxaline as a Low Reduction Potential and High Stability Anolyte Scaffold for Nonaqueous Redox Flow Batteries
Wenhao Zhang, Ryan Walser-Kuntz, Jacob S Tracy, et al.
Journal of the American Chemical Society
|
November 11, 2020
Molecular Engineering of Chromophores to Enable Triplet-Triplet Annihilation Upconversion
Kealan J Fallon, Emily M Churchill, Samuel N Sanders, et al.
Journal of the American Chemical Society
|
February 19, 2021
Electron-Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer
Yusuke Yoneda, S Jimena Mora, James Shee, et al.
The Journal of Physical Chemistry Letters
|
May 16, 2022
Concerted Electron-Nuclear Motion in Proton-Coupled Electron Transfer-Driven Grotthuss-Type Proton Translocation
Eric A Arsenault, Walter D Guerra, James Shee, et al.
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of 4
Search research articles
Search
Showing results (31-40 of 38) with videos related to
Sort By:
Page
of 4
You have reached the last page of results.
This site can display upto 38 results.
Journal of Chemical Theory and Computation
|
April 4, 2022
Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals
Benjamin Rudshteyn, John L Weber, Dilek Coskun, et al.
Journal of Chemical Theory and Computation
|
April 16, 2020
Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo
Benjamin Rudshteyn, Dilek Coskun, John L Weber, et al.
Journal of the American Chemical Society
|
April 4, 2026
The Curious Case of Dual Emission in 9,10-Bis(phenylethynyl)anthracene
Jakub K Sowa, Colette M Sullivan, Leon Otis, et al.
Chemical Science
|
June 24, 2021
<i>In silico</i> prediction of annihilators for triplet-triplet annihilation upconversion <i>via</i> auxiliary-field quantum Monte Carlo
John L Weber, Emily M Churchill, Steffen Jockusch, et al.
Journal of the American Chemical Society
|
August 16, 2023
Indolo[2,3-<i>b</i>]quinoxaline as a Low Reduction Potential and High Stability Anolyte Scaffold for Nonaqueous Redox Flow Batteries
Wenhao Zhang, Ryan Walser-Kuntz, Jacob S Tracy, et al.
Journal of the American Chemical Society
|
November 11, 2020
Molecular Engineering of Chromophores to Enable Triplet-Triplet Annihilation Upconversion
Kealan J Fallon, Emily M Churchill, Samuel N Sanders, et al.
Journal of the American Chemical Society
|
February 19, 2021
Electron-Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer
Yusuke Yoneda, S Jimena Mora, James Shee, et al.
The Journal of Physical Chemistry Letters
|
May 16, 2022
Concerted Electron-Nuclear Motion in Proton-Coupled Electron Transfer-Driven Grotthuss-Type Proton Translocation
Eric A Arsenault, Walter D Guerra, James Shee, et al.
Page
of 4