Concept ID: CBA086206622

Computational chemistry

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Description Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses … More Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids. (Wikipedia)

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Article Helge Kragh (2022)
Chemists Without Knowing It? Computational Chemistry and the Møller-Plesset Perturbation Theory. Substantia: An International Journal of the History of Chemistry (pp. 43-54). (/isis/citation/CBB663914589/) unapi

Article David E. Lewis (2022)
A Future History of Selectivity in Organic Chemistry: Whence, Where, and Whither?. Bulletin for the History of Chemistry (pp. 62-76). (/isis/citation/CBB988568054/) unapi

Chapter Paul von Rague Schleyer; Andrew Streitwieser (2015)
From the Ivy League to the Honey Pot. In: The Foundations of Physical Organic Chemistry: Fifty Years of the James Flack Norris Award (pp. 169-198). (/isis/citation/CBB695687522/) unapi

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