Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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A QM/MM hybrid simulation of 5-hydroxytryptophan in solutionM S Amaral M Loos; Amando S Ito (Amando Siuiti)International Journal of Quantum Chemistry v. 95, n. 3, p. 289-294, 2003New Jersey 2003Acesso online |
2 |
Material Type: Artigo
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A QM/MM hybrid simulation of 5-hydroxytryptophan in solutionM S Amaral M Loos; Amando S Ito (Amando Siuiti)International Journal of Quantum Chemistry v. 95, n. 3, p. 289-294, 2003New Jersey 2003Acesso online |
3 |
Material Type: Artigo
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Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set 'XE''F IND.2'G L Malli J Styszynski; Alberico Borges Ferreira da SilvaNew York v.55, n.3 , p.213-25, aug. 1995 International Journal of Quantum ChemistryNew York 1995Localização: IQSC - Inst. Química de São Carlos (P2742 )(Acessar) |
4 |
Material Type: Artigo
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Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set 'XE''F IND.2'G L Malli J Styszynski; Alberico Borges Ferreira da SilvaNew York v.55, n.3 , p.213-25, aug. 1995 International Journal of Quantum ChemistryNew York 1995Localização: IQSC - Inst. Química de São Carlos (P2742 )(Acessar) |
5 |
Material Type: Artigo
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Ab initio Hartree-Fock-Slater calculation of tetrathiafulvalene (TTF) and TT'F POT.+' ionsMilan Trsic William G LaidlawInternational Journal of Quantum Chemistry Hoboken v. 21, p. 557-563, 1982Hoboken 1982Localização: IQSC - Inst. Química de São Carlos (P200 )(Acessar) |
6 |
Material Type: Artigo
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Ab initio Hartree-Fock-Slater calculation of tetrathiafulvalene (TTF) and TT'F POT.+' ionsMilan Trsic William G LaidlawInternational Journal of Quantum Chemistry Hoboken v. 21, p. 557-563, 1982Hoboken 1982Localização: IQSC - Inst. Química de São Carlos (P200 )(Acessar) |
7 |
Material Type: Artigo
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Ab initio Hartree-Fock-Slater calculations of polysulfanes 'H IND.2''S IND.n'(n=1-4) and the ions H'S IND.n POT.-' and 'S IND.n POT.2-'Milan Trsic William G LaidlawInternational Journal of Quantum Chemistry Hoboken v. 17, p. 969-974, 1980Hoboken 1980Localização: IQSC - Inst. Química de São Carlos (P194 )(Acessar) |
8 |
Material Type: Artigo
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Ab initio Hartree-Fock-Slater calculations of polysulfanes 'H IND.2''S IND.n'(n=1-4) and the ions H'S IND.n POT.-' and 'S IND.n POT.2-'Milan Trsic William G LaidlawInternational Journal of Quantum Chemistry Hoboken v. 17, p. 969-974, 1980Hoboken 1980Localização: IQSC - Inst. Química de São Carlos (P194 )(Acessar) |
9 |
Material Type: Artigo
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Ab initio NMR study of the isomerichydrogen-bonded methanol water complexesEudes Eterno Fileti Sylvio CanutoInternational Journal of Quantum Chemistry v. 102, n. 5, p. 554-564, 2005New York 2005Acesso online |
10 |
Material Type: Artigo
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Ab initio NMR study of the isomerichydrogen-bonded methanol water complexesEudes Eterno Fileti Sylvio CanutoInternational Journal of Quantum Chemistry v. 102, n. 5, p. 554-564, 2005New York 2005Acesso online |