Canuto S - Search Results

1

Electronic changes due to thermal disorder of hydrogen bonds in liquids: pyridine in an aqueous environment.

Fileti EE, Coutinho K, Malaspina T, Canuto S. Fileti EE, et al. Among authors: canuto s. Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Jun;67(6 Pt 1):061504. doi: 10.1103/PhysRevE.67.061504. Epub 2003 Jun 18. Phys Rev E Stat Nonlin Soft Matter Phys. 2003. PMID: 16241230

2

Combined Monte Carlo and quantum mechanics study of the hydration of the guanine-cytosine base pair.

Coutinho K, Ludwig V, Canuto S. Coutinho K, et al. Among authors: canuto s. Phys Rev E Stat Nonlin Soft Matter Phys. 2004 Jun;69(6 Pt 1):061902. doi: 10.1103/PhysRevE.69.061902. Epub 2004 Jun 1. Phys Rev E Stat Nonlin Soft Matter Phys. 2004. PMID: 15244612

3

Asequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-pi* transition of acrolein in water.

Georg HC, Coutinho K, Canuto S. Georg HC, et al. Among authors: canuto s. J Chem Phys. 2005 Sep 22;123(12):124307. doi: 10.1063/1.2033750. J Chem Phys. 2005. PMID: 16392482

4

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

Lima MC, Coutinho K, Canuto S, Rocha WR. Lima MC, et al. Among authors: canuto s. J Phys Chem A. 2006 Jun 8;110(22):7253-61. doi: 10.1021/jp060821b. J Phys Chem A. 2006. PMID: 16737277

5

Ab initio study of the isomeric equilibrium of the HCN...H2O and H2O...HCN hydrogen-bonded clusters.

Malaspina T, Fileti EE, Riveros JM, Canuto S. Malaspina T, et al. Among authors: canuto s. J Phys Chem A. 2006 Aug 31;110(34):10303-8. doi: 10.1021/jp062780p. J Phys Chem A. 2006. PMID: 16928122

6

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

Georg HC, Coutinho K, Canuto S. Georg HC, et al. Among authors: canuto s. J Chem Phys. 2007 Jan 21;126(3):034507. doi: 10.1063/1.2426346. J Chem Phys. 2007. PMID: 17249884

7

Probing supercritical water with the n-pi* transition of acetone: a Monte Carlo/quantum mechanics study.

Fonseca TL, Coutinho K, Canuto S. Fonseca TL, et al. Among authors: canuto s. J Chem Phys. 2007 Jan 21;126(3):034508. doi: 10.1063/1.2428293. J Chem Phys. 2007. PMID: 17249885

8

A Monte Carlo-quantum mechanics study of the lowest n-pi* and pi-pi* states of uracil in water.

Ludwig V, Coutinho K, Canuto S. Ludwig V, et al. Among authors: canuto s. Phys Chem Chem Phys. 2007 Sep 21;9(35):4907-12. doi: 10.1039/b704335j. Epub 2007 Jul 17. Phys Chem Chem Phys. 2007. PMID: 17912421

9

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

Almeida TS, Coutinho K, Costa Cabral BJ, Canuto S. Almeida TS, et al. Among authors: canuto s. J Chem Phys. 2008 Jan 7;128(1):014506. doi: 10.1063/1.2804420. J Chem Phys. 2008. PMID: 18190203

10

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

Fonseca TL, Coutinho K, Canuto S. Fonseca TL, et al. Among authors: canuto s. J Chem Phys. 2008 Jul 21;129(3):034502. doi: 10.1063/1.2951995. J Chem Phys. 2008. PMID: 18647026

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