Open AccessAir Separation by Catechol-Ligated Transition Metals: A Quantum Chemical Screening
Author(s) -
Samuel J. Stoneburner,
Laura Gagliardi
Publication year - 2018
Publication title -
the journal of physical chemistry c
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.8b03599
Subject(s) - perturbation theory (quantum mechanics) , complete active space , separation (statistics) , distillation , transition metal , quantum chemical , chemistry , catechol , density functional theory , quantum chemistry , computational chemistry , chemical physics , catalysis , molecule , physics , computer science , quantum mechanics , organic chemistry , reaction mechanism , basis set , machine learning
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