Open AccessCatechol-Ligated Transition Metals: A Quantum Chemical Study on a Promising System for Gas Separation
Author(s) -
Samuel J. Stoneburner,
Vanessa Livermore,
Meghan E. McGreal,
Decai Yu,
Konstantinos D. Vogiatzis,
Randall Q. Snurr,
Laura Gagliardi
Publication year - 2017
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.7b02685
Subject(s) - density functional theory , chemistry , metal , transition metal , molecule , binding energy , computational chemistry , oxide , quantum chemical , inorganic chemistry , selectivity , catalysis , organic chemistry , physics , nuclear physics
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