Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo de Congresso
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Espectro de Absorção da 5-Fluorouracil em água e acetonitrila. um estudo sequential - QM/MMCarlos Bistafa Sylvio Canuto; Escola Brasileira de Estrutura Eletrônica (12th 2010 Brasília, DF)ResumoSão Paulo SBF 2010Acesso online |
2 |
Material Type: Artigo de Congresso
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Combining monte carlo and quantum mechanics to study the optical properties of 5-fluorouracil in water and acetonitrileCarlos Bistafa Sylvio Canuto; Encontro Nacional de Física da Matéria Condensada Águas de Lindóia, SP 2010 XXXIIISão Paulo SBF 2010Acesso online |
3 |
Material Type: Artigo de Congresso
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Including solvent effect on theoretical VCD spectra L-alanine, a test caseEdnilsom Orestes Carlos Bistafa; Sylvio Canuto; XXXV Encontro Nacional de Física da Matéria Condensada 2012 Águas de LindóiaResumo Águas de Lindóia: SBF, 2012Águas de Lindóia SBF 2012Acesso online |
4 |
Material Type: Artigo
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Solvent effects on the two lowest-lying singlet excited states of 5-fluorouracilCarlos Bistafa Sylvio Roberto Accioly CanutoTHEORETICAL CHEMISTRY ACCOUNTS New York v. 132, n. 1, p. 1299, jan.2013New York 2013Acesso online |
5 |
Material Type: Artigo
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Combining ab initio multiconfigurational and free energy gradient methods to study the 'pi'–'pi' POT. *' excited state structure and properties of uracil in waterCarlos Bistafa Herbert C Georg; Sylvio Roberto Accioly CanutoCOMPUTATIONAL AND THEORETICAL CHEMISTRY Amsterdam v. 1040, p. 312-320, jul.2014Amsterdam 2014Acesso online |
6 |
Material Type: Artigo de Congresso
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Polarization E®ect on the 5-Fluorouracil Absorption Spectrum in Solvent EnvironmentCarlos Bistafa Sylvio Canuto; Econtro de Física ( 2011 Foz do Iguaçu)Resumo Foz do Iguaçu: SBF, 2011Foz do Iguaçu SBF 2011Acesso online |
7 |
Material Type: Artigo
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Solvent effect on the stokes shift and on the nonfluorescent decay of the daidzein molecular systemYoelvis Orozco Gonzalez Carlos Bistafa; Sylvio Roberto Accioly CanutoJOURNAL OF PHYSICAL CHEMISTRY A v. 117, n. 21, p. 4404-4411, mai.2013Washington 2013Item não circula. Consulte sua biblioteca.(Acessar) |
8 |
Material Type: Artigo
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Including thermal disorder of hydrogen bonding to describe the vibrational circular dichroism spectrum of zwitterionic l-alanine in waterEdnilsom Orestes Roberto Rivelino; Carlos Bistafa; Sylvio Roberto Accioly CanutoJOURNAL OF PHYSICAL CHEMISTRY A Washington, DC v. 119, n. 21, p. 5099-5106, mai. 2015Washington, DC 2015Acesso online |
9 |
Material Type: Artigo
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Microscopic origin of different hydration patterns of para-nitrophenol and its anion a study combining multiconfigurational calculations and the free-energy gradient methodCarlos Bistafa Yukichi Kitamura; Masataka Nagaoka; Sylvio Roberto Accioly CanutoJournal of Physical Chemistry B Washington, DC v. 122, n. 39, p. 9202-9209, out. 2018Washington, DC 2018Item não circula. Consulte sua biblioteca.(Acessar) |
10 |
Material Type: Artigo
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Quantum mechanics meets scaling theory near the critical pointCarlos Bistafa Tárcius N Ramos; Kaline Rabelo Coutinho; Sylvio CanutoTheoretical Chemistry Accounts Berlin v. 139, Article number: 80, 2020Berlin 2020Acesso online |