RMG Database for Chemical Property Prediction-Reference-Cited by-同舟云学术

RMG Database for Chemical Property Prediction

Published:2022-10-12 Issue:20 Volume:62 Page:4906-4915
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Johnson Matthew S.¹^ORCID,Dong Xiaorui¹^ORCID,Grinberg Dana Alon¹²^ORCID,Chung Yunsie¹^ORCID,Farina David³^ORCID,Gillis Ryan J.¹^ORCID,Liu Mengjie¹^ORCID,Yee Nathan W.¹,Blondal Katrin⁴^ORCID,Mazeau Emily³^ORCID,Grambow Colin A.¹,Payne A. Mark¹^ORCID,Spiekermann Kevin A.¹^ORCID,Pang Hao-Wei¹^ORCID,Goldsmith C. Franklin⁴^ORCID,West Richard H.³^ORCID,Green William H.¹^ORCID

Affiliation:

1. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts02139, United States

2. The Wolfson Department of Chemical Engineering, Grand Technion Energy Program (GTEP), Technion─Israel Institute of Technology, Haifa3200003, Israel

3. Department of Chemical Engineering, Northeastern University, Boston, Massachusetts02115, United States

4. School of Engineering, Brown University, Providence, Rhode Island02912, United States

Funder

Basic Energy Sciences

Division of Chemical, Bioengineering, Environmental, and Transport Systems

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00965

Reference80 articles.

1. Manion, J. A.; Huie, R. E.; Levin, R. D.; Burgess, D. R. B., Jr.; Orkin, V. L.; Tsang, W.; McGivern, W. S.; Hudgens, J. W.; Knyazev, V. D.; Atkinson, D. B.; Chai, E.; Tereza, A. M.; Lin, C.Y.; Allison, T. C.; Mallard, W. G.; Westley, F.; Herron, J. T.; Hampson, R. F.; Frizzell, D. H. NIST Chemical Kinetics Database, NIST Standard Reference Database. https://kinetics.nist.gov/kinetics/welcome.jsp. Accessed: October 2022.

2. Active Thermochemical Tables: thermochemistry for the 21st century

3. PrIMe Kinetics. https://kinetics.nist.gov/RealFuels/macccr/macccr2011/MACCCR_2011_Frenklach.pdf.

4. ChemKED Database. https://github.com/pr-omethe-us/ChemKED-database. Accessed: October 2022.

5. ChemKED: A Human- and Machine-Readable Data Standard for Chemical Kinetics Experiments

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