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Refinado por: Nome da Publicação: Journal of Physical Chemistry A remover
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1
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Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution a combined Monte Carlo and quantum mechanics study

Maria Carolina P Lima Kaline Rabelo Coutinho; Sylvio Canuto; William R Rocha

Journal of Physical Chemistry A Washington v. 110, n. 22, p. 7253-7261, 2006

Washington 2006

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2
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Polarization and spectral shift of benzophenone in supercritical water

Tertius Lima Fonseca Herbert de Castro Georg; Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Physical Chemistry A v. 113, n. 17, p. 5112-5118, 2009

Washington, DC 2009

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3
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A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water

Benedito J. Costa Cabral Kalline Rabelo Coutinho; Sylvio Roberto Accioly Canuto

Journal of Physical Chemistry A Washington DC v. 120, n. 22, p. 3878-3887, jun.2016

Washington DC 2016

Item não circula. Consulte sua biblioteca.(Acessar)

4
Material Type:
Artigo
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Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution a combined Monte Carlo and quantum mechanics study

Maria Carolina P Lima Kaline Rabelo Coutinho; Sylvio Canuto; William R Rocha

Journal of Physical Chemistry A Washington v. 110, n. 22, p. 7253-7261, 2006

Washington 2006

Acesso online

5
Material Type:
Artigo
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Polarization and spectral shift of benzophenone in supercritical water

Tertius Lima Fonseca Herbert de Castro Georg; Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Physical Chemistry A v. 113, n. 17, p. 5112-5118, 2009

Washington, DC 2009

Acesso online

6
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Solvent effects on the energetics of the phenol O-H bond differential solvation of phenol and phenoxy radical in benzene and acetonitrile

R C Guedes Kaline Rabelo Coutinho; B J Costa Cabral; Sylvio Canuto; C F Correia; R M Borges dos Santos; J A Martinho Simões

Journal of Physical Chemistry A v. 107, n. 43, p. 9197-9207, 2003

Washington, DC 2003

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7
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Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid water

Maria Cristina Caputo Patricio F Provasi; Lucia Benitez; Herbert C Georg; Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto

JOURNAL OF PHYSICAL CHEMISTRY A Washington v. 118, n. 32, p. 6239-6247, ago.2014

Washington 2014

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8
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Solvent effects on the energetics of the phenol O-H bond differential solvation of phenol and phenoxy radical in benzene and acetonitrile

R C Guedes Kaline Rabelo Coutinho; B J Costa Cabral; Sylvio Canuto; C F Correia; R M Borges dos Santos; J A Martinho Simões

Journal of Physical Chemistry A v. 107, n. 43, p. 9197-9207, 2003

Washington, DC 2003

Acesso online

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Deste Autor:

  1. Coutinho, K
  2. Canuto, S
  3. Georg, H
  4. Cabral, B
  5. Simões, J

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