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 |
2 |
Material Type: Artigo de Congresso
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A sequential Monte Carlo quantum mechanics calculations of trans-resveratrol in aqueous solutionTarciso Silva Andrade Filho Hardiney Martins; R M Gester; Rudson C Ferreira; Sheila Cristina Santos Costa; Jordan Del Nero; Kaline Rabelo Coutinho; Sylvio Canuto; Encontro Nacional de Física da Matéria Condensada (29. 2006 São Lourenço)São Paulo : Sociedade Brasileira de Física, 2006São Paulo 2006Acesso online |
3 |
Material Type: Artigo de Congresso
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Solvent influence in the ultra-violet visible absorption spectra of pyrazine derivative a monte Carlo / quantum mechanics sequential treatmentR M Gester C Ferreira; Aldilene Saraiva Souza; Jordan Del Nero; Kaline Rabelo Coutinho; Sylvio Canuto; Encontro Nacional de Física da Matéria Condensada (29. 2006 São Lourenço)São Paulo : Sociedade Brasileira de Física, 2006São Paulo 2006Acesso online |
4 |
Material Type: Artigo de Congresso
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Solvent effects in the UV-Vis absorption spectra of Furan-2,3-dione derivative a Monte Carlo / Quantum mechanics investigationR M Gester C Ferreira; Aldilene Saraiva Souza; Jordan Del Nero; Kaline Rabelo Coutinho; Sylvio Canuto; Encontro Nacional de Física da Matéria Condensada (29. 2006 São Lourenço)São Paulo : Sociedade Brasileira de Física, 2006São Paulo 2006Acesso online |
5 |
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 |
6 |
Material Type: Artigo
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Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approachTania S Almeida Kaline Rabelo Coutinho; Benedito J Costa Cabral; Sylvio CanutoJournal of Chemical Physics v. 128, n. 1, p. 014506/1-014506/9, 2008New York 2008Acesso online |
7 |
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 |
8 |
Material Type: Artigo
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Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approachTania S Almeida Kaline Rabelo Coutinho; Benedito J Costa Cabral; Sylvio CanutoJournal of Chemical Physics v. 128, n. 1, p. 014506/1-014506/9, 2008New York 2008Acesso online |
9 |
Material Type: Artigo
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Probing supercritical water with the n-''pi' POT.*' transition of acetone a Monte Carlo/quantum mechanics studyTertius Fonseca Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics v. 126, n. 3, p. 034508/1-034508/9, 2007Menasha 2007Acesso online |
10 |
Material Type: Artigo
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Probing supercritical water with the n-''pi' POT.*' transition of acetone a Monte Carlo/quantum mechanics studyTertius Fonseca Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics v. 126, n. 3, p. 034508/1-034508/9, 2007Menasha 2007Acesso online |