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John A Keith

Showing results (21-30 of 46) with videos related to

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The Journal of Physical Chemistry Letters|August 20, 2015
Insufficient Hartree-Fock Exchange in Hybrid DFT Functionals Produces Bent Alkynyl Radical StructuresVictor B Oyeyemi, John A Keith, Michele Pavone, et al.
Journal of the American Chemical Society|September 21, 2007
Unraveling the Wacker oxidation mechanismsJohn A Keith, Robert J Nielsen, Jonas Oxgaard, et al.
Chemsuschem|November 23, 2013
Significant reduction in NiO band gap upon formation of Lix Ni1-x O alloys: applications to solar energy conversionNima Alidoust, Maytal Caspary Toroker, John A Keith, et al.
Physical Chemistry Chemical Physics : PCCP|April 22, 2021
Computational predictions of metal-macrocycle stability constants require accurate treatments of local solvent and pH effectsBrian M Gentry, Tae Hoon Choi, William S Belfield, et al.
Journal of the American Chemical Society|September 24, 2013
Elucidation of the selectivity of proton-dependent electrocatalytic CO2 reduction by fac-Re(bpy)(CO)3ClJohn A Keith, Kyle A Grice, Clifford P Kubiak, et al.
The Journal of Physical Chemistry Letters|September 24, 2017
Alchemical Predictions for Computational Catalysis: Potential and LimitationsKarthikeyan Saravanan, John R Kitchin, O Anatole von Lilienfeld, et al.
Journal of the American Chemical Society|March 17, 2018
Thermodynamic Hydricities of Biomimetic Organic Hydride DonorsStefan Ilic, Usha Pandey Kadel, Yasemin Basdogan, et al.
The Journal of Chemical Physics|February 24, 2025
Zero-point energies from bond orders and populations relationshipsBarbaro Zulueta, Colin D Rude, Jesse A Mangiardi, et al.
The Journal of Chemical Physics|April 10, 2020
First-principles modeling of chemistry in mixed solvents: Where to go from here?Alex M Maldonado, Yasemin Basdogan, Joshua T Berryman, et al.
Journal of Chemical Theory and Computation|December 7, 2019
Machine Learning-Guided Approach for Studying Solvation EnvironmentsYasemin Basdogan, Mitchell C Groenenboom, Ethan Henderson, et al.
Pageof 5

Showing results (21-30 of 46) with videos related to

Sort By:
Pageof 5
The Journal of Physical Chemistry Letters|August 20, 2015
Insufficient Hartree-Fock Exchange in Hybrid DFT Functionals Produces Bent Alkynyl Radical StructuresVictor B Oyeyemi, John A Keith, Michele Pavone, et al.
Journal of the American Chemical Society|September 21, 2007
Unraveling the Wacker oxidation mechanismsJohn A Keith, Robert J Nielsen, Jonas Oxgaard, et al.
Chemsuschem|November 23, 2013
Significant reduction in NiO band gap upon formation of Lix Ni1-x O alloys: applications to solar energy conversionNima Alidoust, Maytal Caspary Toroker, John A Keith, et al.
Physical Chemistry Chemical Physics : PCCP|April 22, 2021
Computational predictions of metal-macrocycle stability constants require accurate treatments of local solvent and pH effectsBrian M Gentry, Tae Hoon Choi, William S Belfield, et al.
Journal of the American Chemical Society|September 24, 2013
Elucidation of the selectivity of proton-dependent electrocatalytic CO2 reduction by fac-Re(bpy)(CO)3ClJohn A Keith, Kyle A Grice, Clifford P Kubiak, et al.
The Journal of Physical Chemistry Letters|September 24, 2017
Alchemical Predictions for Computational Catalysis: Potential and LimitationsKarthikeyan Saravanan, John R Kitchin, O Anatole von Lilienfeld, et al.
Journal of the American Chemical Society|March 17, 2018
Thermodynamic Hydricities of Biomimetic Organic Hydride DonorsStefan Ilic, Usha Pandey Kadel, Yasemin Basdogan, et al.
The Journal of Chemical Physics|February 24, 2025
Zero-point energies from bond orders and populations relationshipsBarbaro Zulueta, Colin D Rude, Jesse A Mangiardi, et al.
The Journal of Chemical Physics|April 10, 2020
First-principles modeling of chemistry in mixed solvents: Where to go from here?Alex M Maldonado, Yasemin Basdogan, Joshua T Berryman, et al.
Journal of Chemical Theory and Computation|December 7, 2019
Machine Learning-Guided Approach for Studying Solvation EnvironmentsYasemin Basdogan, Mitchell C Groenenboom, Ethan Henderson, et al.
Pageof 5