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Physical Chemistry

Working Paper

Pressure-Dependent Kinetics of Peroxy Radicals Formed in Isobutanol Combustion

Mark Goldman, Jesse Kroll, William H. Green

Version 1 posted 29 May 2020

417

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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

1,486

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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

Version 1 posted 22 July 2022

961

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1

Citations

Physical Chemistry

Working Paper

ReactionMechanismSimulator.jl: A Modern Approach to Chemical Kinetic Mechanism Simulation and Analysis

Matthew S. Johnson, Hao-Wei Pang, A. Mark Payne, William H. Green

Version 2 posted 12 January 2024

1,046

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1

Citations

Organic Chemistry

Working Paper

Expanding Reactivity in DNA-Encoded Library Synthesis via Reversible Binding of DNA to an Inert Quaternary Ammonium Support

Dillon T. Flood, Shota Asai, Xuejing Zhang, Jie Wang, Leonard Yoon, Zoë C. Adams, Blythe C. Dillingham, Brittany Sanchez, Julien C. Vantourout, Mark E. Flanagan, David W. Piotrowski, Paul Richardson, Samantha Green, Ryan Shenvi, Jason Chen, Phil Baran, Philip Dawson

Version 1 posted 09 April 2019

1,458

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Inorganic Chemistry

Working Paper

Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

Jesse Park, Brianna Collins, Lucy Darago, Tomce Runcevski, Michael Aubrey, Henry Z. H. Jiang, Ever Velasquez, Mark Green, Jason Goodpaster, Jeffrey R. Long

Version 2 posted 28 May 2020

996

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Physical Chemistry

Working Paper

Ultra-small PbS nanocrystals as sensitizers for red-to-blue triplet-fusion upconversion

Christian J. Imperiale, Philippe B. Green, Minhal Hasham, Mark W.B. Wilson

Version 1 posted 23 August 2021

239

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Materials Chemistry

Working Paper

A Stepwise Reaction Achieves Ultra-Small Ag2ZnSnS4 Nanocrystals

Francisco Yarur Villanueva, Minhal Hasham, Philippe B. Green, Christian J. Imperiale, Samihat Rahman, Darcy C. Burns, Mark W.B. Wilson

Version 4 posted 05 November 2024

941

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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

Version 1 posted 22 July 2022

1,039

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5

Citations

Theoretical and Computational Chemistry

Review

Towards Accurate Quantum Mechanical Thermochemistry: (1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions

Haoyang Wu, A. Mark Payne, Hao-Wei Pang, Angiras Menon, Colin A. Grambow, Duminda S. Ranasinghe, Xiaorui Dong, Alon Grinberg Dana, William H. Green

Version 4 posted 22 April 2024

488

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Refine Search

11 results in Mark Green in Authors: Mark Green

Pressure-Dependent Kinetics of Peroxy Radicals Formed in Isobutanol Combustion

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

The RMG Database for Chemical Property Prediction

ReactionMechanismSimulator.jl: A Modern Approach to Chemical Kinetic Mechanism Simulation and Analysis

Expanding Reactivity in DNA-Encoded Library Synthesis via Reversible Binding of DNA to an Inert Quaternary Ammonium Support

Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

Ultra-small PbS nanocrystals as sensitizers for red-to-blue triplet-fusion upconversion

A Stepwise Reaction Achieves Ultra-Small Ag2ZnSnS4 Nanocrystals

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

Towards Accurate Quantum Mechanical Thermochemistry: (1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions

11 results in Authors: Mark Green