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Physical Chemistry

Working Paper

A Kinetic Model for Predicting Trace Gas Uptake and Reaction

Kevin Wilson, Alexander Prophet, Megan Willis

Version 1 posted 05 May 2022

509

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1

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Theoretical and Computational Chemistry

Working Paper

First Principles Reaction Discovery: From the Schrodinger Equation to Experimental Prediction for Methane Pyrolysis

Rui Xu, Jan Meisner, Alexander Chang, Keiran Thompson, Todd Martinez

Version 1 posted 02 March 2023

511

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Inorganic Chemistry

Working Paper

A Transition State Theory Perspective on the Relation of Reversible Metal Hydride First-Order Kinetics to Equilibrium Thermodynamics

Roland Hermann Pawelke

Version 2 posted 19 May 2021

340

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Physical Chemistry

Working Paper

A New Kinetic Model for Multicomponent Adsorption in Batch Systems

yongson hong, Kye-Ryong Sin, Yong-U Ri, Jong-Su Pak, Yung Jon, Chol-Sik Kim, Chol-Su Jang, Hye-Ryon Ju, Sung-Hwan Ri

Version 2 posted 21 March 2018

1,494

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Physical Chemistry

Working Paper

Kinetic Solvent Effects in Organic Reactions

Belinda Slakman, Richard West

Version 2 posted 02 April 2018

2,758

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Theoretical and Computational Chemistry

Working Paper

Kinetic Modeling of API Oxidation: 1. The AIBN/H2O/CH3OH Radical "Soup"

Alon Grinberg Dana, Haoyang Wu, Duminda Ranasinghe, Frank C. Pickard IV, Geoffrey P. F. Wood, Todd Zelesky, Gregory W. Sluggett, Jason Mustakis, William H. Green

Version 1 posted 05 April 2021

547

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Catalysis

Working Paper

A Kinetic View on Proximity-dependent Selectivity of Carbon Dioxide Reduction on Bifunctional Catalysts

Huijun Jiang, Zhonghuai Hou, Yi Luo

Version 1 posted 27 May 2020

534

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Physical Chemistry

Working Paper

Harnessing ultrasound-derived hydroxyl radicals for the selective oxidation of aldehyde functions

Ari F. Fischer, Teseer Bahry, Zhangyue Xie, Kaicheng Qian, Renhong Li, James Kwan, François Jérôme, Sabine Valange, Wen Liu, Prince N. Amaniampong, Tej S. Choksi

Version 1 posted 15 March 2024

135

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Chemical Engineering and Industrial Chemistry

Working Paper

Optimization of heterogeneous continuous flow hydrogenation using FTIR inline analysis: a comparative study of multi-objective Bayesian optimization and kinetic modeling

Kejie Chai, Weida Xia, Runqiu Shen, Guihua Luo, Yingying Cheng, Weike Su, An Su

Version 1 posted 12 March 2024

57

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Chemical Engineering and Industrial Chemistry

Working Paper

Continuous flow synthesis of N,O-dimethyl-N'-nitroisourea monitored by inline FTIR: comparing machine learning and kinetic modeling for optimization

Jiapeng Guo, Guihua Luo, Kejie Chai, Weike Su, An Su

Version 1 posted 15 March 2024

97

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16 results in Kinetic Modeling in Keywords: Kinetic Modeling

A Kinetic Model for Predicting Trace Gas Uptake and Reaction

First Principles Reaction Discovery: From the Schrodinger Equation to Experimental Prediction for Methane Pyrolysis

A Transition State Theory Perspective on the Relation of Reversible Metal Hydride First-Order Kinetics to Equilibrium Thermodynamics

A New Kinetic Model for Multicomponent Adsorption in Batch Systems

Kinetic Solvent Effects in Organic Reactions

Kinetic Modeling of API Oxidation: 1. The AIBN/H2O/CH3OH Radical "Soup"

A Kinetic View on Proximity-dependent Selectivity of Carbon Dioxide Reduction on Bifunctional Catalysts

Harnessing ultrasound-derived hydroxyl radicals for the selective oxidation of aldehyde functions

Optimization of heterogeneous continuous flow hydrogenation using FTIR inline analysis: a comparative study of multi-objective Bayesian optimization and kinetic modeling

Continuous flow synthesis of N,O-dimethyl-N'-nitroisourea monitored by inline FTIR: comparing machine learning and kinetic modeling for optimization

16 results in Keywords: Kinetic Modeling