Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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11 |
Material Type: Artigo
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Electronic properties of liquid hydrogen fluoride a sequential quantum mechanical/Born–Oppenheimer molecular dynamics approachBenedito J Costa Cabral Kaline Rabelo Coutinho; Sylvio Roberto Accioly CanutoChemical Physics Letters V.495, N.1-3, 2010Amsterdan 2010Acesso online |
12 |
Material Type: Artigo
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Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligandLeandro Rezende Franco Kalil Cristhian Figueiredo Toledo; Tiago Araujo Matias; Paola Andrea Benavides; Henrique Cezar; Moyses Araujo; Kaline Rabelo Coutinho; Koiti ArakiPhysical Chemistry Chemical Physics Londres: Royal Society of Chemistry, 2022 v. 24, n. 17, p. 10222-10240, 30 de março de 2022Londres 2022Item não circula. Consulte sua biblioteca.(Acessar) |
13 |
Material Type: Artigo
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Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization study of the optical and magnetic properties of diazines in waterVinícius Manzoni Marcelo L Lyra; Sylvio Canuto; Kaline CoutinhoTHE JOURNAL OF CHEMICAL PHYSICS Lancaster v.135, n. 14, p. 144103, out.2011Lancaster 2011Acesso online |
14 |
Material Type: Artigo
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Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization study of the optical and magnetic properties of diazines in waterVinícius Manzoni Marcelo L Lyra; Sylvio Canuto; Kaline CoutinhoTHE JOURNAL OF CHEMICAL PHYSICS Lancaster v.135, n. 14, p. 144103, out.2011Lancaster 2011Acesso online |
15 |
Material Type: Tese de Doutorado
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Estudo teórico de complexos polipiridínicos de Ru Aqua/Oxo em solução aquosaFranco, Leandro RezendeBiblioteca Digital de Teses e Dissertações da USP; Universidade de São Paulo; Instituto de Física 2020-11-30Acesso online. A biblioteca também possui exemplares impressos. |