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Royal Society of Chemistry, Dalton Transactions, 3(50), p. 1086-1096, 2021

DOI: 10.1039/d0dt03988h

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OctaDist: A tool for calculating distortion parameters in spin crossover and coordination complexes

Journal article published in 2021 by Rangsiman Ketkaew ORCID, Yuthana Tantirungrotechai ORCID, Phimphaka Harding ORCID, Guillaume Chastanet ORCID, Philippe Guionneau ORCID, Mathieu Marchivie ORCID, David J. Harding ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

OctaDist, a program for calculating three common octahedral distortion parameters, is presented and the calculation of the trigonal distortion parameter,Θis standardized for the first time.