Computing the Volume, Surface Area, Mean, and Gaussian Curvatures of Molecules and Their Derivatives

Patrice Koehl, Arseniy V. Akopyan, Herbert Edelsbrunner. Computing the Volume, Surface Area, Mean, and Gaussian Curvatures of Molecules and Their Derivatives. Journal of Chemical Information and Computer Sciences, 63(3):973-985, February 2023. [doi]

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