Quantitative structure activity relationships (QSARs) and machine learning models for abiotic reduction of organic compounds by an aqueous Fe(II) complex Y Gao, S Zhong, TL Torralba-Sanchez, PGT Tratnyek, EJ Weber, Y Chen, ... Water Research, 2021 | 32 | 2021 |
Reduction of 1, 2, 3-trichloropropane (TCP): pathways and mechanisms from computational chemistry calculations TL Torralba-Sanchez, EJ Bylaska, AJ Salter-Blanc, DE Meisenheimer, ... Environmental Science: Processes & Impacts 22 (3), 606-616, 2020 | 24 | 2020 |
Bioconcentration factors and plant–water partition coefficients of munitions compounds in barley TL Torralba–Sanchez, DTF Kuo, HE Allen, DM Di Toro Chemosphere 189, 538-546, 2017 | 18 | 2017 |
Estimating grass–soil bioconcentration of munitions compounds from molecular structure TL Torralba− Sanchez, Y Liang, DM Di Toro Environmental Science & Technology 51 (19), 11205-11214, 2017 | 15 | 2017 |
Estimating system parameters for solvent–water and plant cuticle–water using quantum chemically estimated Abraham solute parameters Y Liang, TL Torralba-Sanchez, DM Di Toro Environmental Science: Processes & Impacts 20 (5), 813-821, 2018 | 10 | 2018 |
Computational predictions of the hydrolysis of 2, 4, 6-trinitrotoluene (TNT) and 2, 4-dinitroanisole (DNAN) EJ Bylaska, PG Tratnyek, TL Torralba-Sanchez, KC Edwards, DA Dixon, ... The Journal of Physical Chemistry A 126 (48), 9059-9075, 2022 | 9 | 2022 |
Building toward the future in chemical and materials simulation with accessible and intelligently designed web applications EJ Bylaska, D Song, ES Ilton, S O’Leary, TL Torralba-Sánchez, ... Annual Reports in Computational Chemistry 17, 163-208, 2021 | 9 | 2021 |
Developing earthworm bioconcentration factors of nitrogen-based compounds for predicting environmentally significant parameters for new munition compounds in soil RG Kuperman, M Simini, RT Checkai, SG Dodard, M Sarrazin, J Hawari, ... Applied Soil Ecology 104, 25-30, 2016 | 5 | 2016 |
Bioconcentration of munitions compounds in plants and worms: experiments and modeling TL Torralba-Sanchez University of Delaware, 2016 | 5 | 2016 |
p K a prediction of per-and polyfluoroalkyl acids in water using in silico gas phase stretching vibrational frequencies and infrared intensities J Murillo-Gelvez, O Dmitrenko, TL Torralba-Sanchez, PG Tratnyek, ... Physical Chemistry Chemical Physics 25 (36), 24745-24760, 2023 | 4 | 2023 |
Modeling the Partitioning of Anionic Carboxylic and Perfluoroalkyl Carboxylic and Sulfonic Acids to Octanol and Membrane Lipid TL Torralba‐Sanchez, DM Di Toro, O Dmitrenko, J Murillo‐Gelvez, ... Environmental Toxicology and Chemistry 42 (11), 2317-2328, 2023 | 3 | 2023 |
Innovations in groundwater remediation driven by extremely challenging, emerging contaminants: The prototypical example of 1, 2, 3-trichloropropane (TCP) P Tratnyek, A Salter-Blanc, T Torralba-Sanchez, Y Lan, GO Johnson, ... Abstracts of Papers of the American Chemical Society 256, 2018 | | 2018 |
SERDP Project ER-1734 DM Di Toro, HE Allen, SI Sandler, DTF Kuo, TL Torralba–Sanchez, ... | | 2017 |
Developing Quantum Chemical and Polyparameter Models for Predicting Environmentally Significant Parameters for New Munition Compounds DM Di Toro, HE Allen, SI Sandler, DTF Kuo, TL Torralba-Sanchez, ... | | 2017 |
Predicting environmental partitioning via quantum chemistry, Abraham parameters and pp-LFERs D Ditoro, Y Liang, T Torralba-Sanchez ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
Bioconcentration of energetic compounds-munitions constituents-in grasses (barley) TL Torralba-Sanchez, DTF Kuo, DM Di Toro, HE Allen ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013 | | 2013 |
Bioaccumulation of energetic compounds in grasses DTF Kuo, TL Torralba-Sanchez, DM Di Toro ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012 | | 2012 |
Processes & Impacts TL Torralba-Sanchez, EJ Bylaska, AJ Salter-Blanc, DE Meisenheimer, ... | | |