Search

Analytical Chemistry

Working Paper

Online HPLC Analysis of Buchwald-Hartwig Aminations from Within an Inert Environment

Thomas C. Malig, Lars P. E. Yunker, Sebastian Steiner, Jason E. Hein

Version 1 posted 18 August 2020

527

Downloads

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

774

Downloads

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

729

Downloads

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

1,486

Downloads

Materials Chemistry

Working Paper

Multiscale reactive model for 1,3,5-triamino-2,4,6-trinitrobenzene inferred by reactive MD simulations and unsupervised learning

Paul Lafourcade, Jean-Bernard Maillet, Jérôme Roche, Michael Sakano, Brenden Hamilton, Alejandro Strachan

Version 1 posted 14 June 2023

129

Downloads

Physical Chemistry

Working Paper

Ideal Gas Reference for Association and Dissociation Reactions: I. Basic Concepts

Tobias Binninger, Adrian Heinritz, Rhiyaad Mohamed

Version 1 posted 12 October 2021

249

Downloads

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

1,271

Downloads

Theoretical and Computational Chemistry

Working Paper

Theoretical chemical reaction database construction based on quantum chemistry-aided retrosynthetic analysis

Yu Harabuchi, Satoshi Maeda

Version 1 posted 22 November 2022

590

Downloads

5

Citations

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

305

Downloads

Theoretical and Computational Chemistry

Working Paper

A Subgraph Isomorphic Decision Tree to Predict Radical Thermochemistry with Bounded Uncertainty Estimation

Hao-Wei Pang, Xiaorui Dong, Matthew S. Johnson, William H. Green

Version 1 posted 31 January 2024

173

Downloads

Refine Search

34 results in Chemical kinetics in Keywords: Chemical kinetics

Online HPLC Analysis of Buchwald-Hartwig Aminations from Within an Inert Environment

On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulations

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

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

Multiscale reactive model for 1,3,5-triamino-2,4,6-trinitrobenzene inferred by reactive MD simulations and unsupervised learning

Ideal Gas Reference for Association and Dissociation Reactions: I. Basic Concepts

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

Theoretical chemical reaction database construction based on quantum chemistry-aided retrosynthetic analysis

Diffusion Limited Kinetics In Reactive Systems

A Subgraph Isomorphic Decision Tree to Predict Radical Thermochemistry with Bounded Uncertainty Estimation

34 results in Keywords: Chemical kinetics