Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks / Vlaisavljevich, Bess; Huck, Johanna; Hulvey, Zeric; Lee, Kyuho; Mason, Jarad A.; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.; Alfè, Dario; Michaelides, Angelos; Smit, Berend. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - 121:21(2017), pp. 4139-4151. [10.1021/acs.jpca.7b00076]
Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks
Alfè, Dario;
2017
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