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Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space

Journal Article · · Journal of Chemical Theory and Computation
 [1];  [1];  [1]
  1. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States
+ Show Author Affiliations

Not provided.

Research Organization:
California Institute of Technology (CalTech), Pasadena, CA (United States); Univ. of California, Oakland, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0019390; AC02-05CH11231
OSTI ID:
1977940
Journal Information:
Journal of Chemical Theory and Computation, Vol. 18, Issue 8; ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

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