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Journal of Chemical Theory and Computation
|
March 10, 2020
Accurate Quantum Chemical Calculation of Ionization Potentials: Validation of the DFT-LOC Approach via a Large Data Set Obtained from Experiments and Benchmark Quantum Chemical Calculations
Guangqi Li, Benjamin Rudshteyn, James Shee, et al.
Journal of the American Chemical Society
|
December 30, 2015
Ultrafast Photoinduced Interfacial Proton Coupled Electron Transfer from CdSe Quantum Dots to 4,4'-Bipyridine
Jinquan Chen, Kaifeng Wu, Benjamin Rudshteyn, et al.
Accounts of Chemical Research
|
May 7, 2019
Heterogenized Molecular Catalysts: Vibrational Sum-Frequency Spectroscopic, Electrochemical, and Theoretical Investigations
Aimin Ge, Benjamin Rudshteyn, Pablo E Videla, et al.
Journal of the American Chemical Society
|
May 21, 2020
Multiple Stable Isoprene-Ozone Complexes Reveal Complex Entrance Channel Dynamics in the Isoprene + Ozone Reaction
Manoj Kumar, James Shee, Benjamin Rudshteyn, et al.
Chemical Science
|
April 29, 2017
A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties
Dimitar Y Shopov, Benjamin Rudshteyn, Jesús Campos, et al.
Journal of the American Chemical Society
|
October 31, 2017
Thousandfold Enhancement of Photoreduction Lifetime in Re(bpy)(CO)<sub>3</sub> via Spin-Dependent Electron Transfer from a Perylenediimide Radical Anion Donor
Svante Hedström, Subhajyoti Chaudhuri, Nathan T La Porte, et al.
The Journal of Physical Chemistry. A
|
October 25, 2023
Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations
Sibali Debnath, Verena A Neufeld, Leif D Jacobson, et al.
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.
Chemical Society Reviews
|
March 15, 2019
Collaboration between experiment and theory in solar fuels research
Jacob A Spies, Ethan A Perets, Katherine J Fisher, et al.
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Search research articles
Search
Showing results (11-20 of 27) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
March 10, 2020
Accurate Quantum Chemical Calculation of Ionization Potentials: Validation of the DFT-LOC Approach via a Large Data Set Obtained from Experiments and Benchmark Quantum Chemical Calculations
Guangqi Li, Benjamin Rudshteyn, James Shee, et al.
Journal of the American Chemical Society
|
December 30, 2015
Ultrafast Photoinduced Interfacial Proton Coupled Electron Transfer from CdSe Quantum Dots to 4,4'-Bipyridine
Jinquan Chen, Kaifeng Wu, Benjamin Rudshteyn, et al.
Accounts of Chemical Research
|
May 7, 2019
Heterogenized Molecular Catalysts: Vibrational Sum-Frequency Spectroscopic, Electrochemical, and Theoretical Investigations
Aimin Ge, Benjamin Rudshteyn, Pablo E Videla, et al.
Journal of the American Chemical Society
|
May 21, 2020
Multiple Stable Isoprene-Ozone Complexes Reveal Complex Entrance Channel Dynamics in the Isoprene + Ozone Reaction
Manoj Kumar, James Shee, Benjamin Rudshteyn, et al.
Chemical Science
|
April 29, 2017
A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties
Dimitar Y Shopov, Benjamin Rudshteyn, Jesús Campos, et al.
Journal of the American Chemical Society
|
October 31, 2017
Thousandfold Enhancement of Photoreduction Lifetime in Re(bpy)(CO)<sub>3</sub> via Spin-Dependent Electron Transfer from a Perylenediimide Radical Anion Donor
Svante Hedström, Subhajyoti Chaudhuri, Nathan T La Porte, et al.
The Journal of Physical Chemistry. A
|
October 25, 2023
Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations
Sibali Debnath, Verena A Neufeld, Leif D Jacobson, et al.
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.
Chemical Society Reviews
|
March 15, 2019
Collaboration between experiment and theory in solar fuels research
Jacob A Spies, Ethan A Perets, Katherine J Fisher, et al.
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