Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated PositroniumMateus Bergami Andre L. D Santana; Jorge Charry; Andres Reyes; Kaline Rabelo Coutinho; Márcio Teixeira do Nascimento VarellaJournal of Physical Chemistry B Washington: ACS-American Chemical Society, 2022 v. 126, n. 14, p. 2699-2714, 4 de abril de 2022, onlineWashington 2022Item não circula. Consulte sua biblioteca.(Acessar) |
2 |
Material Type: Livro
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Quantum chemistryIra N Levine 1937-Boston Pearson 2014Localização: CQ - Conjunto das Químicas (541.28 L665q 2014 ) e outros locais(Acessar) |
3 |
Material Type: Artigo de Congresso
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The effect of interaction with ionic micelles on porphyrin excited state characteristicsP. J. Gonçalves Leonardo De Boni; D. S Corrêa; Lucimara Perpetua Ferreira Aggarwal; Lino Misoguti; Cleber Renato Mendonça; Sérgio Carlos Zílio; Iouri Borissevitch; International Conference on Colloid Chemistry and Physicochemical Mechanics (3. 2008 Moscow)Program and Summaries Moscow : Lenand, 2008Moscow Lenand 2008Localização: FFCLRP - Fac. Fil. Ciên. Let. de R. Preto (pcd 1721405 ) e outros locais(Acessar) |
4 |
Material Type: Livro
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Biophysical chemistryJames P. AllenOxford Wiley-Blackwell Pub. Hoboken, NJ 2008Localização: ICB - Inst. Ciências Biomédicas (QH505 A425b 2008 )(Acessar) |
5 |
Material Type: Artigo
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Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution a combined Monte Carlo and quantum mechanics studyMaria Carolina P Lima Kaline Rabelo Coutinho; Sylvio Canuto; William R RochaJournal of Physical Chemistry A Washington v. 110, n. 22, p. 7253-7261, 2006Washington 2006Acesso online |
6 |
Material Type: Artigo
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Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution a combined Monte Carlo and quantum mechanics studyMaria Carolina P Lima Kaline Rabelo Coutinho; Sylvio Canuto; William R RochaJournal of Physical Chemistry A Washington v. 110, n. 22, p. 7253-7261, 2006Washington 2006Acesso online |
7 |
Material Type: Artigo de Congresso
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Methyl Orange in aqueous environment a sequential Monte Carlo/ quantum mechanics investigationJordan Del Neto Rodrigo Gester; Rudson C Ferreira; Herbert C Georg; Kaline Rabelo Coutinho; Sylvio Canuto; Simpósio Brasileiro de Química Teórica (13. 2005 São Pedro)Resumos São Pedro : SBQT, 2005São Pedro SBQT 2005Acesso online |
8 |
Material Type: Artigo
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Electronic polarization in liquid acetonitrile a sequential Monte Carlo/quantum mechanics investigationRoberto Rivelino B J Costa Cabral; Kaline Rabelo Coutinho; Sylvio CanutoChemical Physics Letters v. 407, n. 1-3. p. 13-17, 2005Amsterdam 2005Acesso online |
9 |
Material Type: Artigo
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Electronic polarization in liquid acetonitrile a sequential Monte Carlo/quantum mechanics investigationRoberto Rivelino B J Costa Cabral; Kaline Rabelo Coutinho; Sylvio CanutoChemical Physics Letters v. 407, n. 1-3. p. 13-17, 2005Amsterdam 2005Acesso online |
10 |
Material Type: Artigo
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The dipole polarization of F-in aqueous solution. a sequential Monte Carlo/quantum mechanics studySylvio Canuto Kaline Rabelo Coutinho; P K MukherjeeAdvances in Quantum Chemistry v. 48, p. 141-150, 2005San Diego 2005Item não circula. Consulte sua biblioteca.(Acessar) |