Three-dimensional molecular illustrations II: Isoelectrostatic energy contour spheres of influence applied to narcotic molecules.

Abstract

A computer-generated method using quantum mechanics was applied to the calculation and subsequent plotting of nonperspective three-dimensional illustrations of molecules in vacuo. The purpose was to generate isoelectrostatic energy contour spheres for larger molecules and current drugs. The molecules chosen, morphine, meperidine, and alphaprodine, possess… (More)

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@article{Breon1978ThreedimensionalMI, title={Three-dimensional molecular illustrations II: Isoelectrostatic energy contour spheres of influence applied to narcotic molecules.}, author={T L Breon and H. Petersen and A N Paruta}, journal={Journal of pharmaceutical sciences}, year={1978}, volume={67 1}, pages={73-80} }