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Restrained ElectroStatic Potential

  1. 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. Journal of Physical Chemistry, 97(40), 10269-10280. DOI: 10.1021/j100142a004 ↩