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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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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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Reply to comment on 'The enthalpy of the O-H bond homolytic dissociation basis-set extrapolated density functionaltheory and coupled cluster calculations

B J C Cabral Sylvio Canuto

Chemical Physics Lettes v. 417, n. 4-6, p. 570-572, 2006

Amsterdam 2006

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Reply to comment on 'The enthalpy of the O-H bond homolytic dissociation basis-set extrapolated density functionaltheory and coupled cluster calculations

B J C Cabral Sylvio Canuto

Chemical Physics Lettes v. 417, n. 4-6, p. 570-572, 2006

Amsterdam 2006

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5
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Dynamics of endo- vs. exo-complexation and electronic absorption of calix[4]arene-'AR' IND. 2'

Benedito J. C. Cabral Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto

CHEMICAL PHYSICS LETTERS Amsterdam v. 612, p. 266-272, set. 2014

Amsterdam 2014

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6
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Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-'c IND. 2' in liquid methanol

Benedito J. C. Cabral Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto

JOURNAL OF CHEMICAL PHYSICS v. 138, n.22, p. 225102, jul.2013

Melville 2013

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Free base phthalocyanine influence of thermal effects and dimerization on the electronic absorption spectrum

Benedito J. C. Cabral Vinícius Wilian Dias Cruzeiro; Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto

CHEMICAL PHYSICS LETTERS Amsterdam v. 595, p. 97-102, mar. 2014

Amsterdam 2014

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8
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Electronic properties of liquid hydrogen fluoride: A sequential quantum mechanical/Born–Oppenheimer molecular dynamics approach

Benedito J Costa Cabral Kaline Rabelo Coutinho; Sylvio Canuto

Chemical Physics Letters V.495, N.1-3, 2010

Amsterdan 2010

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9
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Electronic properties of liquid hydrogen fluoride a sequential quantum mechanical/Born–Oppenheimer molecular dynamics approach

Benedito J Costa Cabral Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto

Chemical Physics Letters V.495, N.1-3, 2010

Amsterdan 2010

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10
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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

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por este autor/creador:

  1. Canuto, S
  2. Cabral, B
  3. Coutinho, K
  4. Guedes, R
  5. Jaramillo, P

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