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1
A quantum chemical study of red-shift and blue-shift hydrogen bonds in bimolecular and trimolecular methylhydrazine-hydrate complexes
A quantum chemical study of red-shift and blue-shift hydrogen bonds in bimolecular and trimolecular methylhydrazine-hydrate complexes
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A quantum chemical study of red-shift and blue-shift hydrogen bonds in bimolecular and trimolecular methylhydrazine-hydrate complexes

Oliveira, B.G. ; Leite, L.F.C.C.

Journal of molecular structure. Theochem, 2009-12, Vol.915 (1), p.38-42

Elsevier B.V

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2
Raman spectra of some transition metal squarate and croconate complexes
Raman spectra of some transition metal squarate and croconate complexes
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Raman spectra of some transition metal squarate and croconate complexes

P S Santos J H Amaral; L F C Oliveira

Amsterdam v.243, n.3-4, p.223-32, 1991 Journal of Molecular Structure: Theochem

Amsterdam 1991

Item não circula. Consulte sua biblioteca.(Acessar)

3
Chromophore selective resonance raman enhancement in copper (ii) squarate and croconate complexes with nitrogenous counter ligands
Chromophore selective resonance raman enhancement in copper (ii) squarate and croconate complexes with nitrogenous counter ligands
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Chromophore selective resonance raman enhancement in copper (ii) squarate and croconate complexes with nitrogenous counter ligands

L F C Oliveira P S Santos

Amsterdam v.245, n.3-4, p.215-20, 1991 Journal of Molecular Structure: Theochem

Amsterdam 1991

Item não circula. Consulte sua biblioteca.(Acessar)

4
Interaction of the squarate ion with trivalent transition metal ions as revealed by resonance raman spectroscopy
Interaction of the squarate ion with trivalent transition metal ions as revealed by resonance raman spectroscopy
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Interaction of the squarate ion with trivalent transition metal ions as revealed by resonance raman spectroscopy

L F C Oliveira P S Santos

Amsterdam v.269, n.1-2, p.85-96, 1992 Journal of Molecular Structure: Theochem

Amsterdam 1992

Item não circula. Consulte sua biblioteca.(Acessar)

5
Principal component analysis of the methylene chloride polar tensors
Principal component analysis of the methylene chloride polar tensors
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Principal component analysis of the methylene chloride polar tensors

Martins Fo, Harley Paiva ; de Oliveira, João Bosco L. ; Bruns, Roy

Journal of molecular structure. Theochem, 1995-05, Vol.335 (1), p.113-121

Elsevier B.V

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6
Augmented Gaussian basis set of double zeta valence quality for the atoms Rb and Y–Xe: Application in DFT calculations of molecular electric properties
Augmented Gaussian basis set of double zeta valence quality for the atoms Rb and Y–Xe: Application in DFT calculations of molecular electric properties
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Augmented Gaussian basis set of double zeta valence quality for the atoms Rb and Y–Xe: Application in DFT calculations of molecular electric properties

de Oliveira, P.J.P. ; Barros, C.L. ; Jorge, F.E. ; Canal Neto, A. ; Campos, M.

Journal of molecular structure. Theochem, 2010-05, Vol.948 (1), p.43-46

Elsevier B.V

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7
Hydrogen bonds in alcohols:water complexes: A theoretical study about new intramolecular interactions via CHELPG and AIM calculations
Hydrogen bonds in alcohols:water complexes: A theoretical study about new intramolecular interactions via CHELPG and AIM calculations
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Hydrogen bonds in alcohols:water complexes: A theoretical study about new intramolecular interactions via CHELPG and AIM calculations

Oliveira, B.G. ; Vasconcellos, M.L.A.A.

Journal of molecular structure. Theochem, 2006-11, Vol.774 (1), p.83-88

Elsevier B.V

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8
A multivariate study on flavonoid compounds scavenging the peroxynitrite free radical
A multivariate study on flavonoid compounds scavenging the peroxynitrite free radical
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A multivariate study on flavonoid compounds scavenging the peroxynitrite free radical

Calgarotto, A.K. ; Miotto, S. ; Honório, K.M. ; da Silva, A.B.F. ; Marangoni, S. ; Silva, J.L. ; Comar, M. ; Oliveira, K.M.T. ; da Silva, S.L.

Journal of molecular structure. Theochem, 2007-04, Vol.808 (1), p.25-33

Elsevier B.V

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9
The acidity of analogous ammonium cations: A description of the solvent effect through the attainment of hydration clusters using the AGOA methodology
The acidity of analogous ammonium cations: A description of the solvent effect through the attainment of hydration clusters using the AGOA methodology
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The acidity of analogous ammonium cations: A description of the solvent effect through the attainment of hydration clusters using the AGOA methodology

Vasconcellos, M.L.A.A. ; Oliveira, B.G. ; Leite, L.F.C.C.

Journal of molecular structure. Theochem, 2008-07, Vol.860 (1), p.13-17

Elsevier B.V

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10
Molecular dynamics simulation of liquid ethylene glycol and its aqueous solution
Molecular dynamics simulation of liquid ethylene glycol and its aqueous solution
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Molecular dynamics simulation of liquid ethylene glycol and its aqueous solution

Vital de Oliveira, Osmair ; Gomide Freitas, Luiz Carlos

Journal of molecular structure. Theochem, 2005-09, Vol.728 (1), p.179-187

Elsevier B.V

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Deste Autor:

  1. Santos, P
  2. Oliveira, L
  3. Trsic, M
  4. Oliveira, K
  5. Amaral, J

Neste Assunto:

  1. Chemistry
  2. Physical Sciences
  3. Science & Technology
  4. Chemistry, Physical
  5. Dft

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