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Kumar Rana, Malay and Pazzona, Federico Giovanni and Suffritti, Giuseppe Baldovino and Demontis, Pierfranco and Masia, Marco (2011) Estimation of partial charges in small zeolite imidazolate frameworks from density functional theory calculations. Journal of Chemical Theory and Computation, Vol. 7 (6), p. 1575-1582. ISSN 1549-9618. eISSN 1549-9626. Article.


Guàrdia, Elvira and Skarmoutsos, Ioannis and Masia, Marco (2009) On ion and molecular polarization of halides in water. Journal of Chemical Theory and Computation, Vol. 5 (6), p. 1449-1453. eISSN 1549-9626. Article.

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