Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Tese de Doutorado
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Estudo teórico de reações enantiosseletivas de morita-baylis-hillman: o efeito da base hatakeyamaNascimento, Verônica Maria DoBiblioteca Digital de Teses e Dissertações da USP; Universidade de São Paulo; Instituto de Química 2019-10-18Acesso online. A biblioteca também possui exemplares impressos. |
2 |
Material Type: Artigo
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Interaction mechanism of cholesterol/β-cyclodextrin complexation by combined experimental and computational approachesDai, Yunxiang ; Zhong, Jinfeng ; Li, Jiaqi ; Liu, Xiong ; Wang, Yonghua ; Qin, XiaoliFood hydrocolloids, 2022-09, Vol.130, p.107725, Article 107725 [Periódico revisado por pares]Elsevier LtdTexto completo disponível |
3 |
Material Type: Artigo
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Conformers of dehydrogenated glycine isomersOrján, Erik M. ; Nacsa, András B. ; Czakó, GáborJournal of computational chemistry, 2020-08, Vol.41 (22), p.2001-2014 [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
4 |
Material Type: Artigo
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Structure and energetics of intermolecular association in two lurasidone co-amorphous drug systemsSilva, Joana F.C. ; Rosado, Mário T.S. ; Eusébio, M. Ermelinda S.Journal of molecular structure, 2021-10, Vol.1242, p.130709, Article 130709 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
5 |
Material Type: Artigo
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On the protonation of a polysubstituted 1,2,4-triazole: A structural study of a hexabromotellurate saltFizer, Maksym ; Slivka, Mikhailo ; Sidey, Vasyl ; Baumer, Vyacheslav ; Fizer, OksanaJournal of molecular structure, 2021-10, Vol.1241, p.130632, Article 130632 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
6 |
Material Type: Artigo
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Conformational search, structural analysis, vibrational properties, reactivity study and affinity towards DNA of the novel insecticide flonicamidCorregidor, Pablo F. ; Zígolo, María A ; Ottavianelli, Emilce E.Journal of molecular structure, 2021-10, Vol.1241, p.130628, Article 130628 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
7 |
Material Type: Artigo
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Conformational distributions of tetrahydro-2-turoic acid in water at different pH values by their IR and vibrational circular dichroism spectraYang, Yanqing ; Alshalalfeh, Mutasem ; Xu, YunjieSpectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2024-02, Vol.307, p.123634, Article 123634 [Periódico revisado por pares]Texto completo disponível |
8 |
Material Type: Artigo
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Protein homology model refinement by large-scale energy optimizationPark, Hahnbeom ; Ovchinnikov, Sergey ; Kim, David E. ; DiMaio, Frank ; Baker, DavidProceedings of the National Academy of Sciences - PNAS, 2018-03, Vol.115 (12), p.3054-3059 [Periódico revisado por pares]United States: National Academy of SciencesTexto completo disponível |
9 |
Material Type: Artigo
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Implementation of gradient gravitational search algorithm towards conformational searchPradhan, Rojalin ; Panigrahi, Sibarama ; Sahu, Prabhat K.Computational and theoretical chemistry, 2022-02, Vol.1208, p.113550, Article 113550 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
10 |
Material Type: Artigo
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Conformational landscape and intricate conformational relaxation paths of 4,4,4-trifluoro-1-butanol: Rotational spectroscopy and quantum chemical calculationsLu, Tao ; Xie, Fan ; Seifert, Nathan A. ; Jäger, Wolfgang ; Xu, YunjieJournal of molecular structure, 2020-10, Vol.1217, p.128359, Article 128359 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |