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DFT and Thermodynamics Calculations of Surface Cation Release in LiCoO2

ali abbaspour tamijani, Joseph W. Bennett, Diamond T. Jones, Natalia Cartagena-Gonzalez, Zachary R. Jones, Elizabeth D. Laudadio, Robert Hamers, Juan A. Santana, Sara E. Mason

Version 1 posted 06 September 2019

1,054

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3

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Earth, Space, and Environmental Chemistry

Working Paper

Degradation of Perfluorooctanoic Acid (PFOA) on Aluminum Oxide Surfaces: New Mechanisms from Ab Initio Molecular Dynamics Simulations

Sohag Biswas, Bryan Wong

Version 1 posted 27 March 2023

262

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Chemical Education

Working Paper

Image Analysis to Demonstrate Adsorption and Absorption Processes Through Image Brightness Using Copper(II) Ions and Fish Scales in Teabags: A Colorimetric-Based Analysis

Maribel Abigail Sofian, Laura Punsu, James Isaac Doloksaribu, Lie Miah, Norbertus Krisnu Prabowo

Version 1 posted 05 June 2024

99

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Earth, Space, and Environmental Chemistry

Review

Beyond Conventional DFT: Advanced Quantum Dynamical Methods for Understanding Degradation of Per- and Polyfluoroalkyl Substances (PFAS)

Sohag Biswas, Bryan Wong

Version 1 posted 18 August 2023

548

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Earth, Space, and Environmental Chemistry

Review

A Review of Emerging Photo-Induced Degradation Methods for Per- and Polyfluoroalkyl Substances (PFAS) in Water

Zulfikhar Ali, Sharma Yamijala, Bryan Wong

Version 1 posted 07 July 2023

413

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Physical Chemistry

Working Paper

Effective Removal of Water-Soluble Methylated Arsenic Contaminants with Phosphorene Oxide Nanoflakes: A DFT Study

Kerry Wrighton-Araneda, Daniela E. Ortega, Diego Cortes-Arriagada

Version 1 posted 11 June 2021

339

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Earth, Space, and Environmental Chemistry

Working Paper

A Machine Learning Approach for Predicting Defluorination of Per- and Polyfluoroalkyl Substances (PFAS) for Their Efficient Treatment and Removal

Akber Raza, Lihua Xu, Sharma Yamijala, Chao Lian, Hyuna Kwon, Bryan Wong

Version 1 posted 03 September 2019

936

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Physical Chemistry

Working Paper

Real-Time Degradation Dynamics of Hydrated Perfluoroalkyl Substances (PFASs) in the Presence of Excess Electrons

Sharma Yamijala, Ravindra Shinde, Bryan Wong

Version 1 posted 20 January 2020

782

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Earth, Space, and Environmental Chemistry

Working Paper

How Natural Materials Remove Heavy Metals from Water: Mechanistic Insights from Molecular Dynamics Simulations

Fabio Pietrucci, Mauro Boero, Wanda Andreoni

Version 1 posted 16 November 2020

351

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Chemical Education

Working Paper

Kinetics and Pathways of the Aqueous Photolysis of Pharmaceutical Pollutants: A Versatile Laboratory or Remote Learning Investigation

Jeffrey M. Buth, Rachele Ossola, Sarah B. Partanen, Kristopher McNeill, William Arnold, Meghan O’Connor, Douglas E. Latch

Version 1 posted 16 November 2020

735

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21 results in Environmental chemistry in Keywords: Environmental chemistry

DFT and Thermodynamics Calculations of Surface Cation Release in LiCoO2

Degradation of Perfluorooctanoic Acid (PFOA) on Aluminum Oxide Surfaces: New Mechanisms from Ab Initio Molecular Dynamics Simulations

Image Analysis to Demonstrate Adsorption and Absorption Processes Through Image Brightness Using Copper(II) Ions and Fish Scales in Teabags: A Colorimetric-Based Analysis

Beyond Conventional DFT: Advanced Quantum Dynamical Methods for Understanding Degradation of Per- and Polyfluoroalkyl Substances (PFAS)

A Review of Emerging Photo-Induced Degradation Methods for Per- and Polyfluoroalkyl Substances (PFAS) in Water

Effective Removal of Water-Soluble Methylated Arsenic Contaminants with Phosphorene Oxide Nanoflakes: A DFT Study

A Machine Learning Approach for Predicting Defluorination of Per- and Polyfluoroalkyl Substances (PFAS) for Their Efficient Treatment and Removal

Real-Time Degradation Dynamics of Hydrated Perfluoroalkyl Substances (PFASs) in the Presence of Excess Electrons

How Natural Materials Remove Heavy Metals from Water: Mechanistic Insights from Molecular Dynamics Simulations

Kinetics and Pathways of the Aqueous Photolysis of Pharmaceutical Pollutants: A Versatile Laboratory or Remote Learning Investigation

21 results in Keywords: Environmental chemistry