Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Caitlin G Bresnahan

Showing results (1-10 of 11) with videos related to

Pageof 2
Sort By:
The Journal of Physical Chemistry. A|October 8, 2019
Ion Pairing in HCl-Water Clusters: From Electronic Structure Investigations to Multiconfigurational Force-Field DevelopmentCaitlin G Bresnahan, Rolf David, Anne Milet, et al.
Chemosphere|January 28, 2025
A molecular dynamics investigation into manipulating graphene flake spacing for increased selectivity towards short chain PFAS captureCaitlin G Bresnahan, Timothy C Schutt, Manoj K Shukla
Journal of Chemical Theory and Computation|October 29, 2020
Adventures in DFTB: Toward an Automatic Parameterization SchemeGlen R Jenness, Caitlin G Bresnahan, Manoj K Shukla
Chemosphere|October 22, 2023
Exploration of functionalizing graphene and the subsequent impact on PFAS adsorption capabilities via molecular dynamicsCaitlin G Bresnahan, Timothy C Schutt, Manoj K Shukla
Environmental Science. Processes & Impacts|September 21, 2022
Density functional theory explorations of parathion and paraoxon hydrolysis as a function of the underlying alkaline environmentCaitlin G Bresnahan, Harley R McAlexander, Christa M Woodley, et al.
ACS Catalysis|October 5, 2019
Cyclic Changes in Active Site Polarization and Dynamics Drive the 'Ping-pong' Kinetics in NRH:Quinone Oxidoreductase 2: An Insight from QM/MM SimulationsClorice R Reinhardt, Quin H Hu, Caitlin G Bresnahan, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|October 18, 2025
Competitive Adsorption of Exhaust Gases in the Covalent Organic Framework DAAQ-TFP from Molecular ModelingTimothy C Schutt, Timothy C Ricard, Caitlin G Bresnahan, et al.
The Journal of Physical Chemistry. A|December 10, 2014
Effect of stacking interactions on the thermodynamics and kinetics of lumiflavin: a study with improved density functionals and density functional tight-binding protocolCaitlin G Bresnahan, Clorice R Reinhardt, Thomas G Bartholow, et al.
Angewandte Chemie (International Ed. in English)|April 19, 2016
A Visible-Light-Promoted O-Glycosylation with a Thioglycoside DonorMark L Spell, Kristina Deveaux, Caitlin G Bresnahan, et al.
The Journal of Organic Chemistry|May 4, 2019
Mechanistic Perspectives in the Regioselective Indole Addition to Unsymmetrical Silyloxyallyl CationsCaitlin G Bresnahan, Kiara A Taylor-Edinbyrd, Alexander H Cleveland, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
The Journal of Physical Chemistry. A|October 8, 2019
Ion Pairing in HCl-Water Clusters: From Electronic Structure Investigations to Multiconfigurational Force-Field DevelopmentCaitlin G Bresnahan, Rolf David, Anne Milet, et al.
Chemosphere|January 28, 2025
A molecular dynamics investigation into manipulating graphene flake spacing for increased selectivity towards short chain PFAS captureCaitlin G Bresnahan, Timothy C Schutt, Manoj K Shukla
Journal of Chemical Theory and Computation|October 29, 2020
Adventures in DFTB: Toward an Automatic Parameterization SchemeGlen R Jenness, Caitlin G Bresnahan, Manoj K Shukla
Chemosphere|October 22, 2023
Exploration of functionalizing graphene and the subsequent impact on PFAS adsorption capabilities via molecular dynamicsCaitlin G Bresnahan, Timothy C Schutt, Manoj K Shukla
Environmental Science. Processes & Impacts|September 21, 2022
Density functional theory explorations of parathion and paraoxon hydrolysis as a function of the underlying alkaline environmentCaitlin G Bresnahan, Harley R McAlexander, Christa M Woodley, et al.
ACS Catalysis|October 5, 2019
Cyclic Changes in Active Site Polarization and Dynamics Drive the 'Ping-pong' Kinetics in NRH:Quinone Oxidoreductase 2: An Insight from QM/MM SimulationsClorice R Reinhardt, Quin H Hu, Caitlin G Bresnahan, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|October 18, 2025
Competitive Adsorption of Exhaust Gases in the Covalent Organic Framework DAAQ-TFP from Molecular ModelingTimothy C Schutt, Timothy C Ricard, Caitlin G Bresnahan, et al.
The Journal of Physical Chemistry. A|December 10, 2014
Effect of stacking interactions on the thermodynamics and kinetics of lumiflavin: a study with improved density functionals and density functional tight-binding protocolCaitlin G Bresnahan, Clorice R Reinhardt, Thomas G Bartholow, et al.
Angewandte Chemie (International Ed. in English)|April 19, 2016
A Visible-Light-Promoted O-Glycosylation with a Thioglycoside DonorMark L Spell, Kristina Deveaux, Caitlin G Bresnahan, et al.
The Journal of Organic Chemistry|May 4, 2019
Mechanistic Perspectives in the Regioselective Indole Addition to Unsymmetrical Silyloxyallyl CationsCaitlin G Bresnahan, Kiara A Taylor-Edinbyrd, Alexander H Cleveland, et al.
Pageof 2