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Earth, Space, and Environmental Chemistry

Working Paper

Thermal Decomposition Kinetics of Glyphosate (GP) and its Metabolite Aminomethylphosphonic Acid (AMPA)

Milad Narimani, Gabriel da Silva

Version 2 posted 25 November 2019

1,262

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Physical Chemistry

Working Paper

Chemical Reaction Stoichiometry: A Key Link between Thermodynamics and Kinetics, and an Excel Implementation

Leslie Glasser, William Smith

Version 1 posted 15 March 2019

964

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Theoretical and Computational Chemistry

Working Paper

On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulations

Riccardo Spezia, Hichem Dammak

Version 2 posted 04 September 2019

773

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Physical Chemistry

Working Paper

The Shape of Water in Zeolites and Its Impact on Epoxidation Catalysis

Daniel Bregante, Matthew Chan, Jun Zhi Tan, E. Zeynep Ayla, Christopher P. Nicholas, Diwakar Shukla, David Flaherty

Version 1 posted 26 November 2020

1,493

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Analytical Chemistry

Working Paper

Kinetics of Formic Acid Decomposition in Subcritical and Supercritical Water - A Raman Spectroscopic Study

Brian Pinkard, David Gorman, Elizabeth Rasmussen, John Kramlich, Per G. Reinhall, Igor V. Novosselov

Version 1 posted 06 February 2019

728

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Theoretical and Computational Chemistry

Working Paper

Advances in Automated Transition State Theory Calculations: Improvements on the AutoTST Framework

Nathan Harms, Carl Underkoffler, Richard West

Version 2 posted 07 December 2020

819

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2

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Theoretical and Computational Chemistry

Working Paper

Machine Learning Dynamic Correlation in Chemical Kinetics

Changhae Andrew Kim, Nathan D. Ricke, Troy Van Voorhis

Version 2 posted 06 August 2021

746

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Theoretical and Computational Chemistry

Working Paper

Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation

Mengjie Liu, Alon Grinberg Dana, Matthew Johnson, Mark Goldman, Agnes Jocher, A. Mark Payne, Colin Grambow, Kehang Han, Nathan Wa-Wai Yee, Emily Mazeau, Katrin Blondal, Richard West, Franklin Goldsmith, William H. Green

Version 1 posted 29 December 2020

1,446

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Theoretical and Computational Chemistry

Working Paper

Diffusion Limited Kinetics In Reactive Systems

Matthew S. Johnson, Joy N. Mueller, Craig Daniels, Habib N. Najm, Judit Zador

Version 2 posted 02 February 2024

289

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Materials Chemistry

Working Paper

Structure-reactivity relationships in a small library of imine-type dynamic covalent materials: Determination of rate and equilibrium constants enables model prediction and validation of a unique mechanical softening in dynamic hydrogels

Francis Luke Culliford Morgan, Ivo Anton Octave Beeren, Jurica Bauer, Lorenzo Moroni, Matthew Brandon Baker

Version 1 posted 17 June 2024

136

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Refine Search

33 results in chemical kinetics in Keywords: chemical kinetics

Thermal Decomposition Kinetics of Glyphosate (GP) and its Metabolite Aminomethylphosphonic Acid (AMPA)

Chemical Reaction Stoichiometry: A Key Link between Thermodynamics and Kinetics, and an Excel Implementation

On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulations

The Shape of Water in Zeolites and Its Impact on Epoxidation Catalysis

Kinetics of Formic Acid Decomposition in Subcritical and Supercritical Water - A Raman Spectroscopic Study

Advances in Automated Transition State Theory Calculations: Improvements on the AutoTST Framework

Machine Learning Dynamic Correlation in Chemical Kinetics

Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation

Diffusion Limited Kinetics In Reactive Systems

Structure-reactivity relationships in a small library of imine-type dynamic covalent materials: Determination of rate and equilibrium constants enables model prediction and validation of a unique mechanical softening in dynamic hydrogels

33 results in Keywords: chemical kinetics