Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Louis-Charl Cloete Coetzee"'
Publikováno v:
Energies, Vol 15, Iss 13, p 4913 (2022)
Herein, some novel metal-free 1,3,4-oxadiazole compounds O1–O7 were evaluated for their photovoltaic properties using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations to determine if they can serve
Externí odkaz:
https://doaj.org/article/516ce87e61d844f0a3f7f66e469bed27
Some novel metal-free 1,2,4-triazole compounds A1-A8, based on the 3,5-bis(2-hydroxyphenyl)-1,2,4-triazole derivatives were examined for Photovoltaic properties using density functional theory (DFT) and time dependent density functional theory (TD-DF
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d983af27ad353c79c6999b8f779be3b
https://doi.org/10.21203/rs.3.rs-758446/v1
https://doi.org/10.21203/rs.3.rs-758446/v1
Autor:
Adedapo S. Adeyinka, D. Bradley G. Williams, Alfred Muller, Molahlehi S. Sonopo, Louis-Charl Cloete Coetzee
Publikováno v:
Results in Chemistry, Vol 3, Iss, Pp 100165-(2021)
Three 1,2,4-triazole derivatives have been synthesised from hydrazides and 2-(2-hydroxyphenyl)-4H-1,3-benzoaxin-4-one. With the aid of Conceptual Density Functional Theory (CDFT), Molecular Electrostatic Potential (MEP) and Quantum Theory of Atoms in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e4029d6015a9cd58fc14b590b0af487d
https://hdl.handle.net/10453/153192
https://hdl.handle.net/10453/153192
Publikováno v:
Tetrahedron Letters. 60:501-503
Copper catalysed click reactions are excellent tools to generate various 1,2,3-triazole linked polytopic aromatic carboxylates. The general reaction route involves protection of the carboxylates before proceeding with the click reaction. These polyca
Autor:
Coetzee, Louis-Charl Cloete1 (AUTHOR) louischarlc0@gmail.com, Adeyinka, Adedapo Sunday2 (AUTHOR) aadeyinka@uj.ac.za, Magwa, Nomampondo1 (AUTHOR) mnomampondo@yahoo.com
Publikováno v:
Energies (19961073). Jul2022, Vol. 15 Issue 13, p4913-N.PAG. 23p.
Publikováno v:
Journal of Molecular Modeling; Dec2021, Vol. 27 Issue 12, p1-16, 16p