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

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Authors: Patrice Koehl; Arseniy Akopyan; Herbert Edelsbrunner

Journal title: Journal of Chemical Information and Modeling

Journal number: 63, 3

Journal publisher: American Chemical Society

Published year: 2023

Published pages: 973–985

DOI identifier: 10.1021/acs.jcim.2c01346

ISSN: 1549-9596