Performance of SCAN density functional for a set of ionic liquid ion pairs

Karu, Karl; Mišin, Maksim; Ers, Heigo; Sun, Jianwei; Ivaništšev, Vladislav

doi:10.1002/qua.25582

Title: Performance of SCAN density functional for a set of ionic liquid ion pairs

Journal Article · Wed Jan 03 00:00:00 EST 2018 · International Journal of Quantum Chemistry

DOI:https://doi.org/10.1002/qua.25582· OSTI ID:1537624

^[1];

^[1]; Ers, Heigo ^[1]; Sun, Jianwei ^[2];

^[1]

Institute of Chemistry, University of Tartu, Ravila 14a, Tartu 50411 Estonia
Department of Physics and Engineering Physics, Tulane University, New Orleans LA 70118

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Complex Materials from First Principles (CCM); Temple Univ., Philadelphia, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0012575

OSTI ID:: 1537624

Journal Information:: International Journal of Quantum Chemistry, Vol. 118, Issue 13; ISSN 0020-7608

Publisher:: Wiley

Country of Publication:: United States

Language:: English

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