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Refinado por: autor: Cabral, B remover
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Electronic polarization of liquid water converged Monte-Carlo quantum mechanics results for the multipole moments

Kaline Rabelo Coutinho R C Guedes; B J Costa Cabral; Sylvio Canuto

Chemical Physics Letters Amsterdam v. 369, n. 3-4, p. 345-353, 2003

Amsterdam 2003

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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 properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approach

Tania S Almeida Kaline Rabelo Coutinho; Benedito J Costa Cabral; Sylvio Canuto

Journal of Chemical Physics v. 128, n. 1, p. 014506/1-014506/9, 2008

New York 2008

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4
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Electronic polarization of liquid water converged Monte-Carlo quantum mechanics results for the multipole moments

Kaline Rabelo Coutinho R C Guedes; B J Costa Cabral; Sylvio Canuto

Chemical Physics Letters Amsterdam v. 369, n. 3-4, p. 345-353, 2003

Amsterdam 2003

Acesso online

5
Material Type:
Artigo
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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

Acesso online

6
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Artigo
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Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approach

Tania S Almeida Kaline Rabelo Coutinho; Benedito J Costa Cabral; Sylvio Canuto

Journal of Chemical Physics v. 128, n. 1, p. 014506/1-014506/9, 2008

New York 2008

Acesso online

7
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Structure and electronic properties of hydrated mesityl oxide a sequential quantum mechanics/molecular mechanics approach

Marcus V. A. Damasceno Kaline Coutinho; Benedito J. Costa Cabral

THEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA) Berlin v.131, n.5, p. 1214, abr.2012

Berlin 2012

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Structure and electronic properties of hydrated mesityl oxide a sequential quantum mechanics/molecular mechanics approach

Marcus V. A. Damasceno Kaline Coutinho; Benedito J. Costa Cabral

THEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA) Berlin v.131, n.5, p. 1214, abr.2012

Berlin 2012

Acesso online

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Deste Autor:

  1. Coutinho, K
  2. Cabral, B
  3. Canuto, S
  4. Damasceno, M
  5. Guedes, R

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