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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Shao, Yihan; Gan, Zhengting; Epifanovsky, Evgeny; Gilbert, Andrew T. B.; Wormit, Michael; Kussmann, Joerg; Lange, Adrian W.; et al, MOLECULAR PHYSICS, v.113, no.2, pp.184 - 215, 2015-01 |
Thermodynamics of gas adsorption in MOFs using Ab Initio calculations Poloni, Roberta; Kim, Jihan, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.569 - 572, 2016-04 |
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