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Electronic polarization in liquid acetonitrile a sequential Monte Carlo/quantum mechanics investigation

Roberto Rivelino B J Costa Cabral; Kaline Rabelo Coutinho; Sylvio Canuto

Chemical Physics Letters v. 407, n. 1-3. p. 13-17, 2005

Amsterdam 2005

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Electronic polarization in liquid acetonitrile a sequential Monte Carlo/quantum mechanics investigation

Roberto Rivelino B J Costa Cabral; Kaline Rabelo Coutinho; Sylvio Canuto

Chemical Physics Letters v. 407, n. 1-3. p. 13-17, 2005

Amsterdam 2005

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3
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A Monte carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in water

Roberto Rivelino Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Physical Chemistry B Washington v. 106, p. 47, p. 12317-12322, 2002

Washington 2002

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A Monte carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in water

Roberto Rivelino Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Physical Chemistry B Washington v. 106, p. 47, p. 12317-12322, 2002

Washington 2002

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por este autor/creador:

  1. Coutinho, K
  2. Canuto, S
  3. Rivelino, R
  4. Cabral, B

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