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The Number of Independent Internal Coordinates in Symmetrical Molecules
Author(s) -
Pople John A.,
Sataty Y. Aviva,
Halevi E. Amitai
Publication year - 1980
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.198000034
Subject(s) - chemistry , molecule , bipolar coordinates , log polar coordinates , computational chemistry , classical mechanics , generalized coordinates , organic chemistry , physics
A simple algorithm is presented for determining the number of internal degrees of freedom of a symmetrically constrained molecule.
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