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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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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

Kinetic Solvent Effects in Organic Reactions

Belinda Slakman, Richard West

Version 2 posted 02 April 2018

2,759

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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

Energy Threshold for Chiral Symmetry Breaking in Molecular Self-Replication

Neil Hawbaker, Donna Blackmond

Version 1 posted 17 May 2019

889

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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

510

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1

Citations

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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Physical Chemistry

Working Paper

Using Lifetime and Quenching Rate Constant to Determine Quencher Concentration

Xena Soto, John Swierk

Version 1 posted 09 February 2022

292

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1

Citations

Catalysis

Working Paper

From Humorous Post to Detailed Quantum-Chemical Study: Isocyanate Synthesis Revisited

Oleg B. Beletsan, Igor Gordiy, Sergey S. Lunkov, Mikhail A. Kalinin, Larisa E. Alkhimova, Egor A. Nosach, Egor A. Ilin, Alexandr V. Bespalov, Olgert L. Dallakyan, Aleksandr A. Chamkin, Ilya V. Prolomov, Radion A. Zaripov, Andrey A. Pershin, Bogdan O. Protsenko, Yury V. Rusalev, Ruslan A. Oganov, Diana K. Kovaleva, Vladimir A. Mironov, Victor V. Dotsenko, Alexandr M. Genaev, Dmitry I. Sharapa, Denis Tikhonov

Version 2 posted 12 February 2024

681

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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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16 results in kinetic modeling in Keywords: kinetic modeling

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

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

Kinetic Solvent Effects in Organic Reactions

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

Energy Threshold for Chiral Symmetry Breaking in Molecular Self-Replication

A Kinetic Model for Predicting Trace Gas Uptake and Reaction

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

Using Lifetime and Quenching Rate Constant to Determine Quencher Concentration

From Humorous Post to Detailed Quantum-Chemical Study: Isocyanate Synthesis Revisited

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

16 results in Keywords: kinetic modeling