Crystallography Open Database

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Searching journal of publication like 'Journal of Chemical Theory and Computation' volume of publication is 7

COD ID: 1501653
CIF file Formula: - C14 H10 N2 O2 -
Comments: Jacquemin, Denis; Brémond, Eric; Planchat, Aurélien; Ciofini, Ilaria; Adamo, Carlo TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes Journal of Chemical Theory and Computation 7(6) (2011) 1882
Space group: C 1 2/c 1
Cell volume: 2180.6
Cell parameters: 13.0342; 12.2529; 13.7875; 90; 97.983; 90;  


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