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Energy

Working Paper

Battery Electric Long-Haul Trucking in the United States: A Comprehensive Costing and Emissions Analysis

Kariana Moreno Sader, Sayandeep Biswas, Rob Jones, Marian Mennig, Reza Rezaei, William H. Green

Version 1 posted 07 December 2023

112

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Theoretical and Computational Chemistry

Working Paper

On the influence of template size, canonicalization and exclusivity for retrosynthesis and reaction prediction applications

Esther Heid, Jiannan Liu, Andrea Aude, William H. Green

Version 1 posted 29 September 2021

284

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Theoretical and Computational Chemistry

Working Paper

Characterizing Uncertainty in Machine Learning for Chemistry

Esther Heid, Charles J. McGill, Florence H. Vermeire, William H. Green

Version 3 posted 17 May 2023

830

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Chemical Engineering and Industrial Chemistry

Working Paper

New functional form to describe the temperature dependence of liquid phase reaction rates

Yunsie Chung, William H. Green

Version 1 posted 20 March 2024

66

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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

265

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1

Citations

Chemical Engineering and Industrial Chemistry

Working Paper

Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back

Brent Koscher, Richard B. Canty, Matthew A. McDonald, Kevin P. Greenman, Charles J. McGill, Camille L. Bilodeau, Wengong Jin, Haoyang Wu, Florence H. Vermeire, Brooke Jin, Travis Hart, Timothy Kulesza, Shih-Cheng Li, Tommi S. Jaakkola, Regina Barzilay, Rafael Gómez-Bombarelli, William H. Green, Klavs F Jensen

Version 1 posted 13 April 2023

1,972

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6

Citations

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

396

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Theoretical and Computational Chemistry

Working Paper

Kinetic Modeling of API Oxidation: 1. The AIBN/H2O/CH3OH Radical "Soup"

Alon Grinberg Dana, Haoyang Wu, Duminda Ranasinghe, Frank C. Pickard IV, Geoffrey P. F. Wood, Todd Zelesky, Gregory W. Sluggett, Jason Mustakis, William H. Green

Version 1 posted 05 April 2021

547

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Theoretical and Computational Chemistry

Working Paper

Reactants, Products, and Transition States of Elementary Chemical Reactions Based on Quantum Chemistry

Colin Grambow, Lagnajit Pattanaik, William H. Green

Version 2 posted 01 April 2020

1,317

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1

Citations

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

1,305

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Refine Search

29 results in William H. Green in Authors: William H. Green

Battery Electric Long-Haul Trucking in the United States: A Comprehensive Costing and Emissions Analysis

On the influence of template size, canonicalization and exclusivity for retrosynthesis and reaction prediction applications

Characterizing Uncertainty in Machine Learning for Chemistry

New functional form to describe the temperature dependence of liquid phase reaction rates

Species Selection for Automatic Chemical Kinetic Mechanism Generation

Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back

Pressure-Dependent Kinetics of Peroxy Radicals Formed in Isobutanol Combustion

Kinetic Modeling of API Oxidation: 1. The AIBN/H2O/CH3OH Radical "Soup"

Reactants, Products, and Transition States of Elementary Chemical Reactions Based on Quantum Chemistry

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

29 results in Authors: William H. Green