Jisho

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Noun
1. computational chemistry (i.e. computer simulation of chemical phenomena); computer chemistryComputer terminology
Wikipedia definition
2. Computational chemistryComputational chemistry is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids.
Read “Computational chemistry” on English Wikipedia
Read “計算化学” on Japanese Wikipedia
Read “Computational chemistry” on DBpedia

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