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Computational chemistry: Difference between revisions
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[https://en.wikipedia.org/wiki/Computational_chemistry Computational chemistry] is a branch of chemistry that incorporates the results of theoretical chemistry into computer programs to calculate the structures and properties of molecules and solids. | [https://en.wikipedia.org/wiki/Computational_chemistry Computational chemistry] is a branch of chemistry that incorporates the results of theoretical chemistry into computer programs to calculate the structures and properties of molecules and solids. | ||
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* [https://github.com/atztogo/spglib Spglib], a code library for development relating to symmetries of crystals. | * [https://github.com/atztogo/spglib Spglib], a code library for development relating to symmetries of crystals. | ||
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For an automatically-generated list of versions installed on Compute Canada systems, see [[Available software]]. For an annotated list of software supported by the Biomolecular Simulation National Team, see [[Biomolecular simulation]]. | For an automatically-generated list of versions installed on Compute Canada systems, see [[Available software]]. For an annotated list of software supported by the Biomolecular Simulation National Team, see [[Biomolecular simulation]]. | ||