If you use Complex Build in published research (papers, theses, reports, posters, or supporting information), please cite the publications below. Citations help us maintain the project and keep the software freely available.
中文说明
如果您认为 Complex Build 对您的研究有所帮助，恳请您在相关论文或报告中按下列方式引用我们的工作。非常感谢您的支持！
Quick guide (what to cite)
· Complex Build Software & Algorithm:
Gabriel H. L. Munguba, Gabriel A. Urquiza-Carvalho, Frederico T. Silva, and Alfredo M. Simas
https://www.nature.com/articles/s41598-021-99525-0
· If you built / analyzed complexes up to coordination number 10 (stereoisomer enumeration / polyhedron identification):
Frederico Teixeira Silva, Sóstenes Luiz Soares Lins and Alfredo Mayall Simas
Inorganic Chemistry 2018, 57, 17, 10557–10567
· If you used our Thermally Distinguishable Polyhedral Shapes (TDPSs):
Thermally Distinguishable Polyhedral Shapes in Chemistry: 6- and 7-Coordination
Gabriel H. L. Munguba, Mateus F. da Silva, Gabriel A. Urquiza-Carvalho, Frederico T. Silva, and Alfredo M. Simas
ACS Omega 2025, 10, 40, 47189–47209
· If you used Complex Build in luminescence studies (e.g., Eu(III) complexes):
Impact of stereoisomer multiplicity on the luminescence analysis of europium complexes
Gabriel H. L. Munguba, José Diogo L. Dutra, and Alfredo M. Simas
Optical Materials 2023, 145, 114359
· If you used / relied on our decision trees for metal-centered chirality recognition:
Decision Trees for the Recognition of Metal-Centered Chirality in Coordination Complexes
Gabriel H. L. Munguba, Mateus F. da Silva, Gabriel A. Urquiza-Carvalho, Frederico T. Silva, and Alfredo M. Simas
Journal of Computational Chemistry 2025, 46, 3, e70025
Copy/paste references
[1] G. H. L. Munguba; G. A. Urquiza-Carvalho; F. T. Silva; A. M. Simas. The complex build algorithm to set up starting structures of lanthanoid complexes with stereochemical control for molecular modeling. Scientific Reports 11 (2021) 21493. https://doi.org/10.1038/s41598-021-99525-0
[2] F. T. Silva; S. L. S. Lins; A. M. Simas. Stereoisomerism in Lanthanide Complexes: Enumeration, Chirality, Identification, Random Coordination Ratios. Inorganic Chemistry 57(17) (2018) 10557-10567. https://doi.org/10.1021/acs.inorgchem.8b01133
[3] G. H. L. Munguba; M. F. da Silva; F. T. Silva; G. A. Urquiza-Carvalho; A. M. Simas. Thermally Distinguishable Polyhedral Shapes in Chemistry: 6- and 7-Coordination. ACS Omega 10(40) (2025) 47189-47209. https://doi.org/10.1021/acsomega.5c05878
[4] G. H. L. Munguba; J. D. L. Dutra; A. M. Simas. Impact of stereoisomer multiplicity on the luminescence analysis of europium complexes. Optical Materials 145 (2023) 114359. https://doi.org/10.1016/j.optmat.2023.114359
[5] G. H. L. Munguba; M. F. da Silva; F. T. Silva; G. A. Urquiza-Carvalho; A. M. Simas. Decision Trees for the Recognition of Metal-Centered Chirality in Coordination Complexes. Journal of Computational Chemistry 46(3) (2025). https://doi.org/10.1002/jcc.70025
BibTeX
Below are BibTeX entries for convenience. For the website version, consider placing each BibTeX block inside a collapsible section (accordion) to keep the page compact.
@article{Munguba2021ComplexBuild,
title = {The complex build algorithm to set up starting structures of lanthanoid complexes with stereochemical control for molecular modeling},
author = {Munguba, Gabriel H. L. and Urquiza-Carvalho, Gabriel A. and Silva, Frederico T. and Simas, Alfredo M.},
journal = {Scientific Reports},
year = {2021},
volume = {11},
pages = {21493},
doi = {10.1038/s41598-021-99525-0}
}
@article{Silva2018Stereoisomerism,
title = {Stereoisomerism in Lanthanide Complexes: Enumeration, Chirality, Identification, Random Coordination Ratios},
author = {Silva, Frederico T. and Lins, Sostenes L. S. and Simas, Alfredo M.},
journal = {Inorganic Chemistry},
year = {2018},
volume = {57},
number = {17},
pages = {10557-10567},
doi = {10.1021/acs.inorgchem.8b01133}
}
@article{Munguba2025TDPS,
title = {Thermally Distinguishable Polyhedral Shapes in Chemistry: 6- and 7-Coordination},
author = {Munguba, Gabriel H. L. and da Silva, Mateus F. and Silva, Frederico T. and Urquiza-Carvalho, Gabriel A. and Simas, Alfredo M.},
journal = {ACS Omega},
year = {2025},
volume = {10},
number = {40},
pages = {47189-47209},
doi = {10.1021/acsomega.5c05878}
}
@article{Munguba2023Luminescence,
title = {Impact of stereoisomer multiplicity on the luminescence analysis of europium complexes},
author = {Munguba, Gabriel H. L. and Dutra, Jose Diogo L. and Simas, Alfredo M.},
journal = {Optical Materials},
year = {2023},
volume = {145},
pages = {114359},
doi = {10.1016/j.optmat.2023.114359}
}
@article{Munguba2025DecisionTrees,
title = {Decision Trees for the Recognition of Metal-Centered Chirality in Coordination Complexes},
author = {Munguba, Gabriel H. L. and da Silva, Mateus F. and Silva, Frederico T. and Urquiza-Carvalho, Gabriel A. and Simas, Alfredo M.},
journal = {Journal of Computational Chemistry},
year = {2025},
volume = {46},
number = {3},
doi = {10.1002/jcc.70025}
}