| A Visible‐Light‐Promoted O‐Glycosylation with a Thioglycoside Donor ML Spell, K Deveaux, CG Bresnahan, BL Bernard, W Sheffield, R Kumar, ... Angewandte Chemie International Edition 55 (22), 6515-6519, 2016 | 116 | 2016 |
| Effect of stacking interactions on the thermodynamics and kinetics of lumiflavin: A study with improved density functionals and density functional tight-binding protocol CG Bresnahan, CR Reinhardt, TG Bartholow, JP Rumpel, M North, ... The Journal of Physical Chemistry A 119 (1), 172-182, 2015 | 17 | 2015 |
| Toward rational design of electrogenerated molecularly imprinted polymers (eMIPs): maximizing monomer/template affinity PUAI Fernando, MW Glasscott, GK Kosgei, JS Cobb, EM Alberts, ... ACS Applied Polymer Materials 3 (9), 4523-4533, 2021 | 16 | 2021 |
| Cyclic Changes in Active Site Polarization and Dynamics Drive the “Ping-pong” Kinetics in NRH: Quinone Oxidoreductase 2: An Insight from QM/MM Simulations CR Reinhardt, QH Hu, CG Bresnahan, S Hati, S Bhattacharyya ACS catalysis 8 (12), 12015-12029, 2018 | 15 | 2018 |
| O-Glycosylation Enabled by Remote Activation ML Spell, K Deveaux, CG Bresnahan, JR Ragains Synlett 28 (07), 751-761, 2017 | 12 | 2017 |
| Adventures in DFTB: Toward an Automatic Parameterization Scheme GR Jenness, CG Bresnahan, MK Shukla Journal of Chemical Theory and Computation 16 (11), 6894-6903, 2020 | 7 | 2020 |
| Exploration of functionalizing graphene and the subsequent impact on PFAS adsorption capabilities via molecular dynamics CG Bresnahan, TC Schutt, MK Shukla Chemosphere 345, 140462, 2023 | 5 | 2023 |
| Ion pairing in HCl–water clusters: from electronic structure investigations to multiconfigurational force-field development CG Bresnahan, R David, A Milet, R Kumar The Journal of Physical Chemistry A 123 (43), 9371-9381, 2019 | 5 | 2019 |
| Electrochemically Induced Conformational Change of Di‐Boronic Acid‐Functionalized Ferrocene for Direct Solid‐State Monitoring of Aqueous Fluoride Ions AY Chang, SS Sandhu, PUAI Fernando, GK Kosgei, C Bresnahan, ... Advanced Functional Materials 33 (42), 2303968, 2023 | 4 | 2023 |
| Mechanistic perspectives in the regioselective indole addition to unsymmetrical silyloxyallyl cations CG Bresnahan, KA Taylor-Edinbyrd, AH Cleveland, JA Malone, ... The Journal of organic chemistry 84 (11), 7166-7174, 2019 | 3 | 2019 |
| Density functional theory explorations of parathion and paraoxon hydrolysis as a function of the underlying alkaline environment CG Bresnahan, HR McAlexander, CM Woodley, MK Shukla Environmental Science: Processes & Impacts 24 (12), 2249-2262, 2022 | 1 | 2022 |
| Emerging Materials and Environment: A Brief Introduction MK Shukla, CM Luft, AM Koval, WA Pisani, RW Lamb, LA Lystrom, BD Etz, ... Emerging Materials and Environment, 1-78, 2023 | | 2023 |
| Environmental Science CG Bresnahan, MK Shukla | | 2022 |
| Introductory Roadmap to Current Reactive Force-Field Methodologies CG Bresnahan, GR Jenness, R Kumar, MK Shukla Practical Aspects of Computational Chemistry V, 1-29, 2022 | | 2022 |
| Rationally Designed Molecularly Imprinted Polymers for Trace Electroanalysis of Environmental Micropollutants MW Glasscott, LC Moores, A Fernando, M Shukla, G Jenness, T Schutt, ... Electrochemical Society Meeting Abstracts 239, 1686-1686, 2021 | | 2021 |
| Investigation of ion-pairing and covalent states in hydrated HCl: From clusters to the air-water interface R Kumar, C Bresnahan, R David ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| DFT investigations on the regioselectivity of indole addition to unsymmetrical silyloxyallyl cations C Bresnahan, A Milet, R Kumar, R Kartika ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Development of reactive force-fields for HCl water clusters and subsequent analysis of cluster properties C Bresnahan, R Kumar ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Modeling Chemical Reactivity in Aqueous and Organic Systems: From Electronic Structure Methods to Force Field Development CG Bresnahan Louisiana State University and Agricultural & Mechanical College, 2019 | | 2019 |
| Development of accurate force-fields for water clusters with acidic defects R Kumar, C Bresnahan ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
