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

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Bouzkova, K; Babinsky, M; Novosadova, L; Marek, R, 2013: Intermolecular Interactions in Crystalline Theobromine as Reflected in Electron Deformation Density and C-13 NMR Chemical Shift Tensors. JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9(6), p. 2629 - 2638, doi: 10.1021/ct400209b

Research Groups:

• Structure of Biosystems and Molecular Materials

CEITEC authors:

• Prof. Radek Marek, Ph.D.