Search

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

Downloads

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

520

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

773

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

245

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

121

Downloads

Physical Chemistry

Working Paper

Species Selection for Automatic Chemical Kinetic Mechanism Generation

Matthew S. Johnson, Hao-Wei Pang, Mengjie Liu, William H. Green

Version 2 posted 30 January 2024

354

Downloads

2

Citations

Theoretical and Computational Chemistry

Working Paper

Sooting tendencies of terpenes and hydrogenated terpenes as sustainable transportation biofuels

Junqing Zhu, Juan V. Alegre-Requena, Patrick Cherry, Dominic Curtis, Benjamin G. Harvey, Mohamed A. Jabed, Seonah Kim, Charles S. McEnally, Lisa D. Pfefferle, Josanne-Dee Woodroffe

Version 1 posted 04 March 2022

340

Downloads

1

Citations

Physical Chemistry

Working Paper

Explicit solution of the reversible isomerization followed by zeroth-order kinetics

Alejandro Perez Paz

Version 1 posted 08 July 2024

49

Downloads

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

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

164

Downloads

Refine Search

33 results in Chemical kinetics in Keywords: Chemical kinetics

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

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

On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulations

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

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

Species Selection for Automatic Chemical Kinetic Mechanism Generation

Sooting tendencies of terpenes and hydrogenated terpenes as sustainable transportation biofuels

Explicit solution of the reversible isomerization followed by zeroth-order kinetics

Diffusion Limited Kinetics In Reactive Systems

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

33 results in Keywords: Chemical kinetics