Catalyst Library for Material Discovery Studies, including Transition Metal and Transition Metal Derivatives. Materials are compiled from online open-source databases, as well as own calculations. A GUI is included for convenient input file generation. Please expect this to be updated regularly.
GoranTomacruz/CIPHERCatLib
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Catalyst Library for Material Discovery Studies, including Transition Metal and Transition Metal Derivatives. Materials are compiled from online open-source databases, as well as own calculations. A GUI is included for convenient input file generation. Please expect this to be updated regularly.
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