Browsing by Subject Química computacional

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Showing results 1 to 6 of 6
PreviewIssue DateTitleAuthor(s)AdvisorType
2020Computational design of cutin-derived biopolymers : Design computacional de biopolímeros derivados da cutinaBueno, Otto Mao Vargas Machuca, 1981-San Miguel Barrera, Miguel Angel, 1968-TESE DIGITAL
2019Mechanisms of nanonewton mechanostability in a protein complex revealed by molecular dynamics simulations and single-molecule force spectroscoBernardi, Rafael C.; Durner, Ellis; Schoeler, Constantin; Malinowska, Klara H.; Carvalho, Bruna G.; Bayer, Edward A.; Luthey-Schulten, Zaida; Gaub, Hermann E.; Nash, Michael A.-Artigo
2018Computer-guided total synthesis of natural products: recent examples and future perspectivesDella-Felice, Franco; Pilli, Ronaldo A.; Sarotti, Ariel M.-Artigo
20204-Nitro­benzyl 3,4-bis­­(acet­yl­oxy)-2-(4-meth­­oxy­phen­yl)pyrrolidine-1-carboxyl­ate : crystal structure, Hirshfeld surface analysis and computational chemistryPedroso, Sofia Dallasta; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; Santos, Regina H. De Almeida; Correia, Carlos Roque D.; Garcia, Ariel L. Llanes; Kwong, Huey Chong; Tiekink, Edward R. T.-Artigo
20201-Ethyl 2-methyl 3,4-bis­­(acet­yl­oxy)pyrrolidine-1,2-di­carboxyl­ate: crystal structure, Hirshfeld surface analysis and computational chemistryPedroso, Sofia Dallasta; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; Santos, Regina H. De Almeida; Correia, Carlos Roque D.; Garcia, Ariel L. Llanes; Kwong, Huey Chong; Tiekink, Edward R. T.-Artigo
2021Analysis of the transmission pathway involved in the 4JHF : Análise do caminho de transmissão envolvido no acoplamento 4JHFSoares, João Vitor Oliveira, 1996-Tormena, Cláudio Francisco, 1972-DISSERTAÇÃO DIGITAL