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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Solvents as explicit liquids using a sequential Monte Carlo-Quantum Mechanics methodologySylvio Canuto Kaline Rabelo Coutinho; Sanibel Symposium (43. 2003 St. Augustine)Program, Abstracts, List of Participants Gainesville, Fl : University of Florida, 2003Gainesville, Fl University of Florida 2003Item não circula. Consulte sua biblioteca.(Acessar) |
2 |
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 |
3 |
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 |
4 |
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 |
5 |
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 |
6 |
Material Type: Artigo
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Electronic polarization of liquid water converged Monte-Carlo quantum mechanics results for the multipole momentsKaline Rabelo Coutinho R C Guedes; B J Costa Cabral; Sylvio CanutoChemical Physics Letters Amsterdam v. 369, n. 3-4, p. 345-353, 2003Amsterdam 2003Acesso 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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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) |
9 |
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 |
10 |
Material Type: Artigo
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Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid waterMaria Cristina Caputo Patricio F Provasi; Lucia Benitez; Herbert C Georg; Kaline Rabelo Coutinho; Sylvio Roberto Accioly CanutoJOURNAL OF PHYSICAL CHEMISTRY A Washington v. 118, n. 32, p. 6239-6247, ago.2014Washington 2014Acesso online |