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1 |
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 |
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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 |
3 |
Material Type: Artigo
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Reply to comment on 'The enthalpy of the O-H bond homolytic dissociation basis-set extrapolated density functionaltheory and coupled cluster calculationsB J C Cabral Sylvio CanutoChemical Physics Lettes v. 417, n. 4-6, p. 570-572, 2006Amsterdam 2006Acesso online |
4 |
Material Type: Artigo
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Reply to comment on 'The enthalpy of the O-H bond homolytic dissociation basis-set extrapolated density functionaltheory and coupled cluster calculationsB J C Cabral Sylvio CanutoChemical Physics Lettes v. 417, n. 4-6, p. 570-572, 2006Amsterdam 2006Acesso online |
5 |
Material Type: Artigo
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Dynamics of endo- vs. exo-complexation and electronic absorption of calix[4]arene-'AR' IND. 2'Benedito J. C. Cabral Kaline Rabelo Coutinho; Sylvio Roberto Accioly CanutoCHEMICAL PHYSICS LETTERS Amsterdam v. 612, p. 266-272, set. 2014Amsterdam 2014Acesso online |
6 |
Material Type: Artigo
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Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-'c IND. 2' in liquid methanolBenedito J. C. Cabral Kaline Rabelo Coutinho; Sylvio Roberto Accioly CanutoJOURNAL OF CHEMICAL PHYSICS v. 138, n.22, p. 225102, jul.2013Melville 2013Item não circula. Consulte sua biblioteca.(Acessar) |
7 |
Material Type: Artigo
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Free base phthalocyanine influence of thermal effects and dimerization on the electronic absorption spectrumBenedito J. C. Cabral Vinícius Wilian Dias Cruzeiro; Kaline Rabelo Coutinho; Sylvio Roberto Accioly CanutoCHEMICAL PHYSICS LETTERS Amsterdam v. 595, p. 97-102, mar. 2014Amsterdam 2014Acesso online |
8 |
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 CanutoChemical Physics Letters V.495, N.1-3, 2010Amsterdan 2010Acesso online |
9 |
Material Type: Artigo
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A first-principles approach to the dynamics and electronic properties of p-nitroaniline in waterBenedito J. Costa Cabral Kalline Rabelo Coutinho; Sylvio Roberto Accioly CanutoJournal of Physical Chemistry A Washington DC v. 120, n. 22, p. 3878-3887, jun.2016Washington DC 2016Item não circula. Consulte sua biblioteca.(Acessar) |
10 |
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 |