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Journal of the American Chemical Society
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January 5, 2021
Mechanistic Insights into Co and Fe Quaterpyridine-Based CO<sub>2</sub> Reduction Catalysts: Metal-Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways
Matthias Loipersberger, Delmar G A Cabral, Daniel B K Chu, et al.
Protein Science : a Publication of the Protein Society
|
March 18, 2005
Influence of denatured and intermediate states of folding on protein aggregation
Nicolas L Fawzi, Victor Chubukov, Louis A Clark, et al.
Journal of Chemical Theory and Computation
|
December 3, 2015
A Fast Implementation of Perfect Pairing and Imperfect Pairing Using the Resolution of the Identity Approximation
Alex Sodt, Greg J O Beran, Yousung Jung, et al.
The Journal of Chemical Physics
|
November 7, 2012
Restricted active space spin-flip configuration interaction: theory and examples for multiple spin flips with odd numbers of electrons
Paul M Zimmerman, Franziska Bell, Matthew Goldey, et al.
Journal of the American Chemical Society
|
December 28, 2018
Mechanism and Kinetics of Propane Dehydrogenation and Cracking over Ga/H-MFI Prepared via Vapor-Phase Exchange of H-MFI with GaCl<sub>3</sub>
Neelay M Phadke, Erum Mansoor, Matthieu Bondil, et al.
The Journal of Chemical Physics
|
May 6, 2026
Consistent inclusion of triple substitutions within a coupled cluster based static quantum embedding theory
Avijit Shee, Fabian M Faulstich, K Birgitta Whaley, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 22, 2026
Sensing the acidity of hydrogen bond networks
Tirthick Majumder, R Allen LaCour, Archishman Sarkar, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 12, 2025
Revisiting a large and diverse data set for barrier heights and reaction energies: best practices in density functional theory calculations for chemical kinetics
Xiao Liu, Kevin A Spiekermann, Angiras Menon, et al.
The Journal of Chemical Physics
|
September 1, 2006
Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations
Ryan P Steele, Robert A DiStasio, Yihan Shao, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
The Performance of Density Functionals for Sulfate-Water Clusters
Narbe Mardirossian, Daniel S Lambrecht, Laura McCaslin, et al.
Page
of 63
Search research articles
Search
Showing results (431-440 of 626) with videos related to
Sort By:
Page
of 63
Journal of the American Chemical Society
|
January 5, 2021
Mechanistic Insights into Co and Fe Quaterpyridine-Based CO<sub>2</sub> Reduction Catalysts: Metal-Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways
Matthias Loipersberger, Delmar G A Cabral, Daniel B K Chu, et al.
Protein Science : a Publication of the Protein Society
|
March 18, 2005
Influence of denatured and intermediate states of folding on protein aggregation
Nicolas L Fawzi, Victor Chubukov, Louis A Clark, et al.
Journal of Chemical Theory and Computation
|
December 3, 2015
A Fast Implementation of Perfect Pairing and Imperfect Pairing Using the Resolution of the Identity Approximation
Alex Sodt, Greg J O Beran, Yousung Jung, et al.
The Journal of Chemical Physics
|
November 7, 2012
Restricted active space spin-flip configuration interaction: theory and examples for multiple spin flips with odd numbers of electrons
Paul M Zimmerman, Franziska Bell, Matthew Goldey, et al.
Journal of the American Chemical Society
|
December 28, 2018
Mechanism and Kinetics of Propane Dehydrogenation and Cracking over Ga/H-MFI Prepared via Vapor-Phase Exchange of H-MFI with GaCl<sub>3</sub>
Neelay M Phadke, Erum Mansoor, Matthieu Bondil, et al.
The Journal of Chemical Physics
|
May 6, 2026
Consistent inclusion of triple substitutions within a coupled cluster based static quantum embedding theory
Avijit Shee, Fabian M Faulstich, K Birgitta Whaley, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 22, 2026
Sensing the acidity of hydrogen bond networks
Tirthick Majumder, R Allen LaCour, Archishman Sarkar, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 12, 2025
Revisiting a large and diverse data set for barrier heights and reaction energies: best practices in density functional theory calculations for chemical kinetics
Xiao Liu, Kevin A Spiekermann, Angiras Menon, et al.
The Journal of Chemical Physics
|
September 1, 2006
Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations
Ryan P Steele, Robert A DiStasio, Yihan Shao, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
The Performance of Density Functionals for Sulfate-Water Clusters
Narbe Mardirossian, Daniel S Lambrecht, Laura McCaslin, et al.
Page
of 63