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theoretical chemistry

File:Jacobus_van_'t_Hoff_by_Perscheid_1904.jpg · Wikimedia Commons · See Wikimedia Commons

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theoretical chemistry

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branch of chemistry which develops and applies theoretical concepts

AI overview

Theoretical chemistry is a branch of chemistry that develops and applies theoretical concepts to understand how chemicals work and behave. It matters because these theoretical frameworks help chemists predict chemical reactions and properties without always needing to conduct physical experiments.

AI-generated from the Wikipedia summary — may contain errors.

Wikidata facts

Subclass of
chemistry
Part of
chemistry
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Sampling in Monte Carlo and molecular dynamics.png
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Commons category
Theoretical chemistry
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Category:Theoretical chemistry
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Encyclopedic overview

Jacobus van 't Hoff (1852–1911), an influential theoretical chemist and the first winner of the Nobel Prize in Chemistry.

Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, and molecule activation.

Excerpted from Wikipedia’s “theoretical chemistry” article, available under the CC BY-SA 4.0 licence.