Fundamental and Applied Chemical Kinetics
Biblio Author: William H. Green
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20202020
Theoretical study on the HACA chemistry of naphthalenyl radicals and acetylene: The formation of C12H8, C14H8, and C14H10 species
International Journal of Chemical Kinetics52752-768 -
2020
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20202020
Iterative Experimental Design Based on Active Machine Learning Reduces the Experimental Burden Associated with Reaction Screening
Reaction Chemistry & Engineering51963-1972 -
20202020
Pressure-Dependent Kinetics of Peroxy Radicals Formed in Isobutanol Combustion
Physical Chemistry Chemical Physics2219802-19815 -
20202020
Generating Transition States of Isomerization Reactions with Deep Learning
Physical Chemistry Chemical Physics2223618-23626 -
2020
- Thomas J. Struble
- Juan C. Alvarez
- Scott P. Brown
- Milan Chytil
- Justin Cisar
- Renee L. DesJarlais
- Ola Engkvist
- Scott A. Frank
- Daniel R. Greve
- Daniel J. Griffin
- Xinjun Hou
- Jeffrey W. Johannes
- Constantine Kreatsoulas
- Brian Lahue
- Miriam Mathea
- Georg Mogk
- Christos A. Nicolaou
- Andrew D. Palmer
- Daniel J. Price
- Richard I. Robinson
- Sebastian Salentin
- Li Xing
- Tommi S. Jaakkola
- William H. Green
- Regina Barzilay
- Connor W. Coley
- Klavs F. Jensen
2020Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis
Journal of Medicinal Chemistry638667–8682 -
2020
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2020
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2020
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2020