Publications by authors named "Shubham Vyas"

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Mechanistic investigation of the formation of fluorinated polycyclic aromatic compounds during the thermal decomposition of polyvinylidene fluoride.
Aaron D Ajeti, Jackson R Cahn, Shubham Vyas

Chemosphere· November 2025

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Mechanistic Insights into Photocatalytic Reduction and Triplet Sensitization of 4-Azido-1-phenylbutan-1-ones to Selectively Form 2-Phenyl-1-pyrrolines.
DeVonna M Gatlin, Nayera M Abdelaziz, Fiona J Wasson, Anindya Borah, Brian D Etz, Shubham Vyas

J Org Chem· October 2025

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Computational investigation of the kinetic and thermodynamic parameters governing polytetrafluoroethylene chain shortening.
Aaron D Ajeti, Shubham Vyas

Chemosphere· June 2025

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Role of explicit solvation and level of theory in predicting the aqueous reduction potential of carbonate radical anion by DFT.
Michael R Dooley, Shubham Vyas

Phys Chem Chem Phys· April 2025

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Persistent Luminescence Nanosensors: A Generalized Optode-Based Platform for Autofluorescence-Free Sensing in Biological Systems.
Tyler Z Sodia, Hanna L Tetu, Samuel C Saccomano, Elizabeth G Letch, John M Branning, Shubham Vyas

ACS Sens· June 2024

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Kinetic Model for Predicting Perfluoroalkyl Acid Degradation During UV-Sulfite Treatment.
Camille K Amador, Shubham Vyas, Timothy J Strathmann

Environ Sci Technol· April 2024

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Chemical bonding in potential PFAS products from the thermal degradation of energetic devices, a DFT analysis.
Zachary Triumph, Shubham Vyas

Chemosphere· December 2023

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Influence of Carbonate Speciation on Hydrated Electron Treatment Processes.
Camille K Amador, Haden Cavalli, Raul Tenorio, Hanna Tetu, Christopher P Higgins, Shubham Vyas

Environ Sci Technol· May 2023

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Ultra-short chain fluorocarboxylates exhibit wide ranging reactivity with hydrated electrons.
Camille K Amador, Daniel J Van Hoomissen, Jiaoqin Liu, Timothy J Strathmann, Shubham Vyas

Chemosphere· January 2023

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High-temperature decomposition chemistry of trimethylsiloxane surfactants, a potential Fluorine-Free replacement for fire suppression.
Brian D Etz, Maleigh Mifkovic, Shubham Vyas, Manoj K Shukla

Chemosphere· December 2022

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Conformational distributions of helical perfluoroalkyl substances and impacts on stability.
Maleigh Mifkovic, Daniel J Van Hoomissen, Shubham Vyas

J Comput Chem· September 2022

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Phototriggered Desorption of Hydrogen, Ethylene, and Carbon Monoxide from a Cu(I)-Modified Covalent Organic Framework.
Rachel E Mow, Lucy J T Metzroth, Michael J Dzara, Glory A Russell-Parks, Justin C Johnson, Shubham Vyas

J Phys Chem C Nanomater Interfaces· September 2022

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Computational protocol for predicting F NMR chemical shifts for PFAS and connection to PFAS structure.
Maleigh Mifkovic, Jessica Pauling, Shubham Vyas

J Comput Chem· July 2022

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Role of Explicit Hydration in Predicting the Aqueous Standard Reduction Potential of Sulfate Radical Anion by DFT and Insight into the Influence of pH on the Reduction Potential.
Asa E Carre-Burritt, Daniel J Van Hoomissen, Shubham Vyas

J Phys Chem A· March 2022

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Diazaborines oxidize slowly with HO but rapidly with peroxynitrite in aqueous buffer.
Jack G Haggett, Gun Su Han, Angela R Moser, Julian V A Golzwarden, Shubham Vyas

Org Biomol Chem· February 2022

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Structure and Reactivity of Alloxan Monohydrate in the Liquid Phase.
Jacob T Bingham, Brian D Etz, Julie M DuClos, Shubham Vyas

J Org Chem· November 2021

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Understanding Fragmentation of Organic Small Molecules in Atom Probe Tomography.
Jacob T Bingham, Andrew P Proudian, Shubham Vyas, Jeramy D Zimmerman

J Phys Chem Lett· October 2021

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Periodic Trends behind the Stability of Metal Catalysts Supported on Graphene with Graphitic Nitrogen Defects.
Vu Nguyen, Brian D Etz, Svitlana Pylypenko, Shubham Vyas

ACS Omega· October 2021

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Role of pH in the Transformation of Perfluoroalkyl Carboxylic Acids by Activated Persulfate: Implications from the Determination of Absolute Electron-Transfer Rates and Chemical Computations.
Asa E Carre-Burritt, Daniel J Van Hoomissen, Shubham Vyas

Environ Sci Technol· July 2021

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Intermolecular fluoroamination of allenes towards substituted vinyl fluorides.
Vibha Tiwari, Jacob T Bingham, Shubham Vyas, Anand Singh

Org Biomol Chem· November 2020

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Investigating the Photochemistry of C7 and C8 Functionalized N(5)-Ethyl-flavinium Cation: A Computational Study.
Brian D Etz, Julie M DuClos, Shubham Vyas

J Phys Chem A· May 2020

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Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations To Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers.
Hyunguk Kwon, Brian D Etz, Matthew J Montgomery, Richard Messerly, Sharmin Shabnam, Shubham Vyas

J Phys Chem A· May 2020

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Characterization of the ALSEP Process at Equilibrium: Speciation and Stoichiometry of the Extracted Complex.
Gabriela A Picayo, Brian D Etz, Shubham Vyas, Mark P Jensen

ACS Omega· April 2020

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Dynamic and Solvation Behaviors of ALSEP Organic Ligands.
An T Ta, Mark P Jensen, Shubham Vyas

J Phys Chem B· October 2019

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1,2-H Atom Rearrangements in Benzyloxyl Radicals.
Daniel J Van Hoomissen, Shubham Vyas

J Phys Chem A· January 2019

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