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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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 |
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2 |
Material Type: Artigo de Congresso
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Investigação experimental e simulação monte carlo/mecânica quântica de ácidos graxos e trans "beta"-carotenoRodrigo Gester Hardiney Martins; Jordan Del Neto; Sanclayton Moreira; Rubens Silva; Kaline Rabelo Coutinho; Sylvio Canuto; Simpósio Brasileiro de Química Teórica (13. 2005 São Pedro)Resumos São Pedro : SBQT, 2005São Pedro SBQT 2005Acesso online |
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3 |
Material Type: Artigo
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The electronic spectrum of N-methylacetamide in aqueous solution a sequential Monte Carlo/quantum mechanical studyWilliam R Rocha Katia J de Almeida; Kaline Rabelo Coutinho; Sylvio CanutoChemical Physics Letters Amsterdam v. 345, n. 1-2, p. 177-178, 2001Amsterdam 2001Acesso online |
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4 |
Material Type: Artigo
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Solute relaxation on the solvatochromism of ortho-betaine dyes a sequential Monte Carlo/quantum mechanics studyMarcelo Zaldini Hernandes Ricardo Longo; Kaline Rabelo Coutinho; Sylvio CanutoChemical Physics v. 6, n. 9, p. 2088-2092, 2004Cambridge 2004Acesso online |
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5 |
Material Type: Artigo
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The electronic spectrum of N-methylacetamide in aqueous solution a sequential Monte Carlo/quantum mechanical studyWilliam R Rocha Katia J de Almeida; Kaline Rabelo Coutinho; Sylvio CanutoChemical Physics Letters Amsterdam v. 345, n. 1-2, p. 177-178, 2001Amsterdam 2001Acesso online |
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6 |
Material Type: Artigo
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Solute relaxation on the solvatochromism of ortho-betaine dyes a sequential Monte Carlo/quantum mechanics studyMarcelo Zaldini Hernandes Ricardo Longo; Kaline Rabelo Coutinho; Sylvio CanutoChemical Physics v. 6, n. 9, p. 2088-2092, 2004Cambridge 2004Acesso online |
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7 |
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 |
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8 |
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 |
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9 |
Material Type: Artigo de Congresso
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Monte Carlo and modified tanford-kirkwood results for macromolecular electrostatics calculationsSidney Jurado Carvalho Renato Carlos Tonin Ghiotto; Fernando Luis Barroso Silva; Simpósio Brasileiro de Química Teórica (11. 2001 Caxambu)Livro de Resumos Caxambu, 2001Caxambu 2001Localização: FCFRP - Fac. Ciên. Farm. Ribeirão Preto (pcd 1225307 ) e outros locais(Acessar) |
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10 |
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 |