Intermolecular interactions upon carbon dioxide capture in deep-eutectic solvents
نویسندگان
چکیده
منابع مشابه
Quantifying cooperative intermolecular interactions for improved carbon dioxide capture materials.
We have optimized the geometry and calculated interaction energies for over 100 different complexes of CO(2) with various combinations of electron accepting (Lewis acid) and electron donating (Lewis base) molecules. We have used the recently developed explicitly correlated coupled cluster singles doubles and perturbative triples [CCSD(T)-F12] methods and the associated VXZ-F12 (where X = D,T,Q)...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2018
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c8cp03724h