Construct · 1 fields · 1 citations

RESP charges: a standalone construct

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Quantum chemistry

atomic partial charges fitted to reproduce the quantum electrostatic potential with restraints that keep buried-atom charges small and transferable.

In quantum chemistry, RESP charges refers to atomic partial charges fitted to reproduce the quantum electrostatic potential with restraints that keep buried-atom charges small and transferable. This meaning comes from Bayly (1993) in The Journal of Physical Chemistry.[1]

Unit
Recovery means
Measured by

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Nearby constructs

potential4 fields · 4 citationsjingle · one word, four constructs quantum4 fields · 7 citationsjingle · one word, four constructs

References

Bayly, C. I., Cieplak, P., Cornell, W., & Kollman, P. A. (1993). A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model. The Journal of Physical Chemistry, 97(40), 10269-10280. https://doi.org/10.1021/j100142a004

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