Crystallography Open Database

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

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1501653 CIFC14 H10 N2 O2C 1 2/c 113.0342; 12.2529; 13.7875
90; 97.983; 90		2180.6Jacquemin, 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, 2011, 7, 1882

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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.