Computational Chemistry Comparison and Benchmark Database - Compares experimental properties of small gas phase molecules with properties computed using a varie

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Category: Science » Chemistry » Computational » Ab Initio and Density Functional

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Computational Chemistry Comparison and Benchmark Database

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	Compares experimental properties of small gas phase molecules with properties computed using a variety of ab initio methods. Sponsored Links:
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Title:	CCCBDB Computational Chemistry Comparison and Benchmark Database
Description:	Ideal-gas thermochemistry. Comparisons between theory and experiment.
Category:	Computational - Moment - Heat - Factor - Chemistry - Length - Atomic - Bond - Molecular - Vibrational - Formation - Enthalpy - Entropy - Dipole - Charges - Scaling - Frequencies - Thermochemistry - Initio - Geometries - Polarizability

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