Publication | Open Access
Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems (www.begdb.com): A Users Manual and Examples
171
Citations
56
References
2008
Year
EngineeringComputational ChemistryComplex Molecular SystemsChemistryData ScienceGeometry DatabaseApproximate ComputingEnergy DataBenchmark StudyData IntegrationModeling And SimulationParallel ComputingData ManagementCluster SciencePhysicsVery Large DatabasePrevious Benchmark CcsdComputer EngineeringComputer ScienceQuantum ChemistryBenchmark EnergyComputational ScienceNatural SciencesMolecular PropertyMolecular ClustersCluster ChemistryData Modeling
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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