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C David Sherrill

Showing results (81-90 of 160) with videos related to

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The Journal of Physical Chemistry. B|July 5, 2013
Redox-linked conformational control of proton-coupled electron transfer: Y122 in the ribonucleotide reductase β2 subunitAdam R Offenbacher, Lori A Burns, C David Sherrill, et al.
The Journal of Chemical Physics|August 27, 2025
Levels of symmetry-adapted perturbation theory (SAPT). II. Convergence of interaction energy componentsJeffrey B Schriber, Austin M Wallace, Daniel L Cheney, et al.
The Journal of Chemical Physics|October 17, 2019
CrystaLattE: Automated computation of lattice energies of organic crystals exploiting the many-body expansion to achieve dual-level parallelismCarlos H Borca, Brandon W Bakr, Lori A Burns, et al.
The Journal of Physical Chemistry. A|September 15, 2006
Aliphatic C-H/pi interactions: Methane-benzene, methane-phenol, and methane-indole complexesAshley L Ringer, Michelle S Figgs, Mutasem O Sinnokrot, et al.
The Journal of Chemical Physics|May 24, 2013
Discrete variable representation in electronic structure theory: quadrature grids for least-squares tensor hypercontractionRobert M Parrish, Edward G Hohenstein, Todd J Martínez, et al.
The Journal of Physical Chemistry. A|November 6, 2009
Potential energy curves for cation-pi interactions: off-axis configurations are also attractiveMichael S Marshall, Ryan P Steele, Kanchana S Thanthiriwatte, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 6, 2017
The Surprising Importance of Peptide Bond Contacts in Drug-Protein InteractionsRobert M Parrish, Doree F Sitkoff, Daniel L Cheney, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded InteractionsKanchana S Thanthiriwatte, Edward G Hohenstein, Lori A Burns, et al.
Journal of the American Chemical Society|March 3, 2010
Redox-active ligands facilitate bimetallic O2 homolysis at five-coordinate oxorhenium(V) centersCameron A Lippert, Stephen A Arnstein, C David Sherrill, et al.
The Journal of Physical Chemistry. B|September 22, 2025
Defect-Engineered Graphene Nanoribbons for Enhanced DNA Sequencing: A Study of Structural Defects and Their Impact on Nucleobase Interaction and Quantum TransportRameshwar L Kumawat, Sanjiv K Jha, Benjamin O Tayo, et al.
Pageof 16

Showing results (81-90 of 160) with videos related to

Sort By:
Pageof 16
The Journal of Physical Chemistry. B|July 5, 2013
Redox-linked conformational control of proton-coupled electron transfer: Y122 in the ribonucleotide reductase β2 subunitAdam R Offenbacher, Lori A Burns, C David Sherrill, et al.
The Journal of Chemical Physics|August 27, 2025
Levels of symmetry-adapted perturbation theory (SAPT). II. Convergence of interaction energy componentsJeffrey B Schriber, Austin M Wallace, Daniel L Cheney, et al.
The Journal of Chemical Physics|October 17, 2019
CrystaLattE: Automated computation of lattice energies of organic crystals exploiting the many-body expansion to achieve dual-level parallelismCarlos H Borca, Brandon W Bakr, Lori A Burns, et al.
The Journal of Physical Chemistry. A|September 15, 2006
Aliphatic C-H/pi interactions: Methane-benzene, methane-phenol, and methane-indole complexesAshley L Ringer, Michelle S Figgs, Mutasem O Sinnokrot, et al.
The Journal of Chemical Physics|May 24, 2013
Discrete variable representation in electronic structure theory: quadrature grids for least-squares tensor hypercontractionRobert M Parrish, Edward G Hohenstein, Todd J Martínez, et al.
The Journal of Physical Chemistry. A|November 6, 2009
Potential energy curves for cation-pi interactions: off-axis configurations are also attractiveMichael S Marshall, Ryan P Steele, Kanchana S Thanthiriwatte, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 6, 2017
The Surprising Importance of Peptide Bond Contacts in Drug-Protein InteractionsRobert M Parrish, Doree F Sitkoff, Daniel L Cheney, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded InteractionsKanchana S Thanthiriwatte, Edward G Hohenstein, Lori A Burns, et al.
Journal of the American Chemical Society|March 3, 2010
Redox-active ligands facilitate bimetallic O2 homolysis at five-coordinate oxorhenium(V) centersCameron A Lippert, Stephen A Arnstein, C David Sherrill, et al.
The Journal of Physical Chemistry. B|September 22, 2025
Defect-Engineered Graphene Nanoribbons for Enhanced DNA Sequencing: A Study of Structural Defects and Their Impact on Nucleobase Interaction and Quantum TransportRameshwar L Kumawat, Sanjiv K Jha, Benjamin O Tayo, et al.
Pageof 16