Accurate Enthalpies of Formation for PFAS from First-Principles: Combining Different Levels of Theory in a Generalized Thermochemical Hierarchy

Abeywardane, Kento; Goldsmith, C. Franklin

doi:10.1021/acsphyschemau.3c00056

Title: Accurate Enthalpies of Formation for PFAS from First-Principles: Combining Different Levels of Theory in a Generalized Thermochemical Hierarchy

Journal Article · 26 February 2024 · ACS Physical Chemistry Au

DOI: https://doi.org/10.1021/acsphyschemau.3c00056 · OSTI ID:2315044

Abeywardane, Kento ^[1];

^[1]

Chemical Engineering Group, School of Engineering, Brown University, Providence, Rhode Island 02912, United States

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019489

OSTI ID:: 2315044

Alternate ID(s):: OSTI ID: 2356751

Journal Information:: ACS Physical Chemistry Au, Journal Name: ACS Physical Chemistry Au Journal Issue: 3 Vol. 4; ISSN 2694-2445

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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