Construct · 1 fields · 1 citations

polarizable continuum model: a standalone construct

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polarizablecontinuum model1 CONSTRUCTPolarizable continuumMIERTUŠ · COMPUTATIONAL

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Computational chemistry

quantum chemical solvation model in which the solute sits in a molecule-shaped cavity inside a polarizable dielectric whose induced surface charges act on the solute.

In computational chemistry, polarizable continuum model refers to quantum chemical solvation model in which the solute sits in a molecule-shaped cavity inside a polarizable dielectric whose induced surface charges act on the solute. This meaning comes from Miertuš (1981) in Chemical Physics.[1]

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Nearby constructs

model3 fields · 3 citationsjingle · one word, three constructsquantum4 fields · 7 citationsjingle · one word, four constructssolvation1 fields · 1 citationsanchor · a single construct in physical chemistry

References

  1. Miertuš, S., Scrocco, E., & Tomasi, J. (1981). Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects. Chemical Physics, 55(1), 117-129. https://doi.org/10.1016/0301-0104(81)85090-2

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