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"Internal-to-cartesian back transformation of molecular geometry steps ..."

Vladimir V. Rybkin, Ulf Ekström, Trygve Helgaker (2013)

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DOI: 10.1002/JCC.23327

access: closed

type: Journal Article

metadata version: 2020-04-01

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Vladimir V. Rybkin, Ulf Ekström, Trygve Helgaker:
Internal-to-cartesian back transformation of molecular geometry steps using high-order geometric derivatives. J. Comput. Chem. 34(21): 1842-1849 (2013)

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