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Tavares, Sérgio R., Nakagaki, Shirley, Wypych, Fernando, Leitão, Alexandre A. (2017) Ab initio simulations of the intercalation of iron(III) porphyrinates in Zn 2 Al-LDH: Structural analysis and evaluation of their basic and acid sites. Applied Clay Science, 143. 220-226 doi:10.1016/j.clay.2017.03.029

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Reference TypeJournal (article/letter/editorial)
TitleAb initio simulations of the intercalation of iron(III) porphyrinates in Zn 2 Al-LDH: Structural analysis and evaluation of their basic and acid sites
JournalApplied Clay Science
AuthorsTavares, Sérgio R.Author
Nakagaki, ShirleyAuthor
Wypych, FernandoAuthor
Leitão, Alexandre A.Author
Year2017 (July)Volume143
PublisherElsevier BV
DOIdoi:10.1016/j.clay.2017.03.029Search in ResearchGate
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Mindat Ref. ID10367079Long-form Identifiermindat:1:5:10367079:1
GUID0
Full ReferenceTavares, Sérgio R., Nakagaki, Shirley, Wypych, Fernando, Leitão, Alexandre A. (2017) Ab initio simulations of the intercalation of iron(III) porphyrinates in Zn 2 Al-LDH: Structural analysis and evaluation of their basic and acid sites. Applied Clay Science, 143. 220-226 doi:10.1016/j.clay.2017.03.029
Plain TextTavares, Sérgio R., Nakagaki, Shirley, Wypych, Fernando, Leitão, Alexandre A. (2017) Ab initio simulations of the intercalation of iron(III) porphyrinates in Zn 2 Al-LDH: Structural analysis and evaluation of their basic and acid sites. Applied Clay Science, 143. 220-226 doi:10.1016/j.clay.2017.03.029
In(2017) Applied Clay Science Vol. 143. Elsevier BV

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Tavares, Sérgio R., Wypych, Fernando, Leitão, Alexandre A. (2017) DFT study of the intercalation of layered double hydroxides and layered hydroxide salts with dodecylsulfate and dodecylbenzene sulfonate: Exfoliation and hydration properties. Applied Clay Science, 143. 107-114 doi:10.1016/j.clay.2017.03.018
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Tavares, Sérgio R., Wypych, Fernando, Leitão, Alexandre A. (2015) A theoretical study of a homologous series of zinc n-alkanoates (2 ≤ n ≤ 8): Structural analysis, evaluation of their interactions and monofilm formation. Chemical Physics Letters, 636. 154-162 doi:10.1016/j.cplett.2015.07.036
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