Complex Build 1.1.0: From Lanthanides to Scandium and Yttrium with New Functionalities for Advanced Complex Design

Vol 2, 2023 - 163999
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Abstract

Complex Build v 1.1.0 has been released.
New functionalities extend the software to Scandium and Yttrium complexes
New shape geometries added: elongated trigonal pyramid (JETPY-7) and the gyrobifastigium (JGBF-8).
Sphericities and principal axes of ellipsoids displayed for precise analysis.
Areas and volumes of the coordination polyhedron now available.
Download the software and access tutorials at: https://complexbuild.sparkle.pro.br/.

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Institutions
  • 1 Universidade Federal de Pernambuco - UFPE
  • 2 UNIVERSIDADE DE PERNAMBUCO
Track
  • Development and/or implementation of Method/Theory
Keywords
Complex Build Software; rare-earth complexes; coordination polyhedra; Stereoisomerism