Intermolecular Interactions in Crystalline Theobromine as Reflected in Electron Deformation Density and 13 C NMR Chemical Shift Tensors

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Authors: Kateřina Bouzková, Martin Babinský, Lucie Novosadová, Radek Marek

Journal title: Journal of Chemical Theory and Computation

Journal number: 15499618

Journal publisher: American Chemical Society

Published year: 2013

Published pages: 2629-2638

DOI identifier: 10.1021/ct400209b

ISSN: 1549-9618