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Assessing the Interplay between Functional-Driven and Density-Driven Errors in DFT Models of Water

Journal Article · · Journal of Chemical Theory and Computation
 [1];  [1];  [1];  [1];  [1];  [2]
  1. Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States
  2. Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States; Materials Science and Engineering, University of California San Diego, La Jolla, California 92093, United States; San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, United States
+ Show Author Affiliations

Not provided.

Research Organization:
Univ. of California, San Diego, CA (United States); Univ. of California, Oakland, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0019490; AC02-05CH11231
OSTI ID:
1977925
Journal Information:
Journal of Chemical Theory and Computation, Vol. 18, Issue 6; ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

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  • Marenich, Aleksandr V.; Jerome, Steven V.; Cramer, Christopher J.
  • Journal of Chemical Theory and Computation, Vol. 8, Issue 2, p. 527-541 https://doi.org/10.1021/ct200866d
journal February 2012
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