Dataset - B2FIND

Code Generation in ORCA with AGE II. Calculation Data.

Repository containing the ORCA, MRCC and CFOUR output files that showcase the new capabilities of the ORCA's code generator, the Automated Generator Environment (AGE).
Data publication: Electrical Conductivity of Iron in Earth's Core from Micros...

Simulation and literature data on the electrical and thermal conductivity of iron. The raw simulation data was generated from time-dependent density functional theory...

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2 datasets found