Abstract
Our previous benchmark CCSD(T)/ complete basis set limit calculations were collected into a database named begdb - Benchmark Energy and Geometry DataBase. Web-based interface to this database was prepared and is available at www.begdb.com. Users can browse, search and plot the data online or download structures and energy tables. © 2008 Institute of Organic Chemistry and Biochemistry.
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Řezáč, J., Jurečka, P., Riley, K. E., Černý, J., Valdes, H., Pluháčková, K., … Hobza, P. (2008). Quantum chemical benchmark energy and geometry database for molecular clusters and complex molecular systems (www.begdb.com): A users manual and examples. Collection of Czechoslovak Chemical Communications, 73(10), 1261–1270. https://doi.org/10.1135/cccc20081261
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