Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB

Kunal Kumar Jha, Barbara Gruza, Aleksandra Sypko, Prashant Kumar, Michal Chodkiewicz, Paulina Maria Dominiak. Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB. Journal of Chemical Information and Computer Sciences, 62(16):3752-3765, 2022. [doi]

Abstract

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