Construct · 1 fields · 1 citations

QM/MM: a standalone construct

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Computational chemistry

method that treats a reacting region quantum mechanically and its surroundings with a classical force field, coupling the two.

In computational chemistry, QM/MM refers to method that treats a reacting region quantum mechanically and its surroundings with a classical force field, coupling the two. This meaning comes from Warshel (1976) in Journal of Molecular Biology.[1]

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Nearby constructs

coupling4 fields · 4 citationsjingle · one word, four constructs field3 fields · 5 citationsjingle · one word, three constructs force5 fields · 9 citationsjingle · one word, five constructs

References

Warshel, A., & Levitt, M. (1976). Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme. Journal of Molecular Biology, 103(2), 227-249. https://doi.org/10.1016/0022-2836(76)90311-9

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