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"An algorithm to delineate and integrate topological basins in a ..."

Nathaniel O. J. Malcolm, Paul L. A. Popelier (2003)

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DOI: 10.1002/JCC.10250

access: closed

type: Journal Article

metadata version: 2025-03-03

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Nathaniel O. J. Malcolm, Paul L. A. Popelier:
An algorithm to delineate and integrate topological basins in a three-dimensional quantum mechanical density function. J. Comput. Chem. 24(10): 1276-1282 (2003)

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