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Machine Learning to Predict Diels–Alder Reaction Barriers from the Reactant State Electron Density

Journal Article · · Journal of Chemical Theory and Computation
 [1];  [1];  [1];  [2]
  1. Department of Chemistry and Biochemistry, University of California, Los Angeles, 607 Charles E. Young Drive East, Los Angeles, California 90095-1569, United States
  2. Department of Chemistry and Biochemistry, University of California, Los Angeles, 607 Charles E. Young Drive East, Los Angeles, California 90095-1569, United States; California NanoSystems Institute, University of California, Los Angeles, 570 Westwood Plaza, Los Angeles, California 90095-1569, United States
+ Show Author Affiliations

Not provided.

Research Organization:
Krell Institute, Ames, IA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0021110
OSTI ID:
1977910
Journal Information:
Journal of Chemical Theory and Computation, Vol. 17, Issue 10; ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

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