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The Journal of Physical Chemistry. A|May 10, 2019
Predicting the Impact of Aqueous Ions on Fate and Transport of Munition Compounds in the EnvironmentTimothy C Schutt, Manoj K ShuklaThe Journal of Physical Chemistry. A|December 14, 2020
Computational Investigation on Interactions between Some Munition Compounds and Humic SubstancesTimothy C Schutt, Manoj K ShuklaChemosphere|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 ShuklaEnvironmental Science & Technology|June 28, 2022
Properties and Mechanisms for PFAS Adsorption to Aqueous Clay and Humic Soil ComponentsCharles M Luft, Timothy C Schutt, Manoj K ShuklaChemosphere|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 ShuklaLangmuir : 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.Langmuir : the ACS Journal of Surfaces and Colloids|October 24, 2022
Preferential Adsorption of Prominent Amino Acids in the Urease Enzyme of Sporosarcina pasteurii on Arid Soil Components: A Periodic DFT StudyWilliam A Pisani, Glen R Jenness, Timothy C Schutt, et al.Physical Chemistry Chemical Physics : PCCP|July 5, 2024
Periodic DFT calculations to compute the attributes of a quantum material: honeycomb ruthenium trichlorideAshlyn M Koval, Glen R Jenness, Timothy C Schutt, et al.Journal of Molecular Modeling|February 18, 2017
Can Fe3+ and Al3+ ions serve as cationic bridges to facilitate the adsorption of anionic As(V) species on humic acids? A density functional theory studyLeonid Gorb, Manoj K ShuklaBulletin of Environmental Contamination and Toxicology|April 17, 2016
Adsorption of Emerging Munitions Contaminants on Cellulose Surface: A Combined Theoretical and Experimental InvestigationManoj K Shukla, Aimee PodaPageof 6