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January 1, 2008Collection of Czechoslovak Chemical Communications173 citationsOpen Access

Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems (www.begdb.com): A Users Manual and Examples

JŘJan ŘezáčPJPetr JurečkaKRKevin E. Riley

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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.

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Cite This Study

Řezáč et al. (2008) studied this question.

synapsesocial.com/papers/6a0a9abfc0fb98abde37a0a3https://doi.org/10.1135/cccc20081261
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