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A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water

Herbert de Castro Georg Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Chemical Physics v. 123, n. 12, p. 124307/1-124307/8, 2005

New York 2005

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12
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Solvent effects on the UV-visible absorption spectrum of benzophenone in water a combined Monte Carlo quantum mechanics study including solute polarization

H C Georg Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Chemical Physics v. 126, n. 3, p. 034507/1-034507/8, 2007

Menasha 2007

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13
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The isotropic nuclear magnetic shielding constants of acetone in supercritical water a sequential Monte Carlo/quantum mechanics study including solute polarization

Tertius L Fonseca Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Chemical Physics v. 128, n. 1, p. 034502/1-034502/9, 2008

Woodbury 2008

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14
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A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water

Herbert de Castro Georg Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Chemical Physics v. 123, n. 12, p. 124307/1-124307/8, 2005

New York 2005

Online access

15
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Article
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The isotropic nuclear magnetic shielding constants of acetone in supercritical water a sequential Monte Carlo/quantum mechanics study including solute polarization

Tertius L Fonseca Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Chemical Physics v. 128, n. 1, p. 034502/1-034502/9, 2008

Woodbury 2008

Online access

16
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Article
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Solvent effects on the UV-visible absorption spectrum of benzophenone in water a combined Monte Carlo quantum mechanics study including solute polarization

H C Georg Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Chemical Physics v. 126, n. 3, p. 034507/1-034507/8, 2007

Menasha 2007

Online access

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  1. Fonseca, T  (4)
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