Search

Physical Chemistry

Working Paper

Kinetic Solvent Effects in Organic Reactions

Belinda Slakman, Richard West

2,307

Downloads

Physical Chemistry

Working Paper

The RMG Database for Chemical Property Prediction

Matthew S. Johnson, Xiaorui Dong, Alon Grinberg Dana, Yunsie Chung, David Farina, Ryan J. Gillis, Mengjie Liu, Nathan W. Yee, Katrin Blondal, Emily Mazeau, Colin Grambow, A. Mark Payne, Kevin Spiekermann, Hao-Wei Pang, C. Franklin Goldsmith, Richard H. West, William H. Green

398

Downloads

1

Citations

Theoretical and Computational Chemistry

Working Paper

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

Nathan Harms, Carl Underkoffler, Richard West

591

Downloads

Theoretical and Computational Chemistry

Working Paper

Automated Mechanism Generation Using Linear Scaling Relationships and Sensitivity Analyses Applied to Catalytic Partial Oxidation of Methane

Emily Mazeau, Priyanka Satpute, Katrin Blondal, Franklin Goldsmith, Richard West

461

Downloads

Catalysis

Working Paper

Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111)

Bjarne Kreitz, C. Franklin Goldsmith, Richard West, Emily Mazeau, Katrin Blondal, Gregor Wehinger, Thomas Turek, Khachik Sargsyan

333

Downloads

Physical Chemistry

Working Paper

Automated Reaction Kinetics and Network Exploration (Arkane): A Statistical Mechanics, Thermodynamics, Transition State Theory, and Master Equation Software

Alon Grinberg Dana, Matthew Johnson, Joshua Allen, Sandeep Sharma, Sumathy Raman, Mengjie Liu, Connie Gao, Colin Grambow, Mark Goldman, Duminda Ranasinghe, Ryan Gillis, Allen Mark Payne, Yi-Pei Li, Enoch Dames, Zachary Buras, Nick Vandewiele, Nathan Yee, Shamel Merchant, Beat Buesser, Caleb Class, Franklin Goldsmith, Richard West, William Green

577

Downloads

2

Citations

Materials Science

Working Paper

Assessment of Acid and Thermal Oxidation Treatments for Removing Sp2 Bonded Carbon from the Surface of Boron Doped Diamond

Sam Cobb, Fraser Laidlaw, Geoff West, Georgia Wood, Mark Newton, Richard Beanland, Julie Macpherson

508

Downloads

2

Citations

Theoretical and Computational Chemistry

Working Paper

Extensive High-Accuracy Thermochemistry and Group Additivity Values for Halocarbon Combustion Modeling

David Farina, Sai Krishna Sirumalla, Emily Mazeau, Richard West

241

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

1,082

Downloads

Refine Search

9 results in Richard West in Authors: Richard West

Kinetic Solvent Effects in Organic Reactions

The RMG Database for Chemical Property Prediction

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

Automated Mechanism Generation Using Linear Scaling Relationships and Sensitivity Analyses Applied to Catalytic Partial Oxidation of Methane

Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111)

Automated Reaction Kinetics and Network Exploration (Arkane): A Statistical Mechanics, Thermodynamics, Transition State Theory, and Master Equation Software

Assessment of Acid and Thermal Oxidation Treatments for Removing Sp2 Bonded Carbon from the Surface of Boron Doped Diamond

Extensive High-Accuracy Thermochemistry and Group Additivity Values for Halocarbon Combustion Modeling

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

9 results in Authors: Richard West