AAAAAA

   
Results: 1-9 |
Results: 9
A Monte Carlo-quantum mechanical study of the solvatochromism of pyrimidine in water and in carbon tetrachloride
Authors: de Almeida, KJ Coutinho, K de Almeida, WB Rocha, WR Canuto, S
Citation: Kj. De Almeida et al., A Monte Carlo-quantum mechanical study of the solvatochromism of pyrimidine in water and in carbon tetrachloride, PHYS CHEM P, 3(9), 2001, pp. 1583-1587
A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solution
Authors: Coutinho, K Saavedra, N Serrano, A Canuto, S
Citation: K. Coutinho et al., A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solution, J MOL ST-TH, 539, 2001, pp. 171-179
The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical study
Authors: Rocha, WR De Almeida, KJ Coutinho, K Canuto, S
Citation: Wr. Rocha et al., The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical study, CHEM P LETT, 345(1-2), 2001, pp. 171-178
An efficient quantum mechanical/molecular mechanics Monte Carlo simulationof liquid water
Authors: Rocha, WR Coutinho, K de Almeida, WB Canuto, S
Citation: Wr. Rocha et al., An efficient quantum mechanical/molecular mechanics Monte Carlo simulationof liquid water, CHEM P LETT, 335(1-2), 2001, pp. 127-133
Solvent effects in emission spectroscopy: A Monte Carlo quantum mechanics study of the n <-pi() shift of formaldehyde in water
Authors: Coutinho, K Canuto, S
Citation: K. Coutinho et S. Canuto, Solvent effects in emission spectroscopy: A Monte Carlo quantum mechanics study of the n <-pi() shift of formaldehyde in water, J CHEM PHYS, 113(20), 2000, pp. 9132-9139
A Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene
Authors: Coutinho, K Canuto, S Zerner, MC
Citation: K. Coutinho et al., A Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene, J CHEM PHYS, 112(22), 2000, pp. 9874-9880
Including dispersion in configuration interaction-singles calculations forthe spectroscopy of chromophores in solution
Authors: Canuto, S Coutinho, K Zerner, MC
Citation: S. Canuto et al., Including dispersion in configuration interaction-singles calculations forthe spectroscopy of chromophores in solution, J CHEM PHYS, 112(17), 2000, pp. 7293-7299
From hydrogen bond to bulk: Solvation analysis of the n-pi transition of formaldehyde in water
Authors: Canuto, S Coutinho, K
Citation: S. Canuto et K. Coutinho, From hydrogen bond to bulk: Solvation analysis of the n-pi transition of formaldehyde in water, INT J QUANT, 77(1), 2000, pp. 192-198
Theoretical analysis of the hydrogen bond interaction between acetone and water
Authors: Coutinho, K Saavedra, N Canuto, S
Citation: K. Coutinho et al., Theoretical analysis of the hydrogen bond interaction between acetone and water, THEOCHEM, 466, 1999, pp. 69-75
Risultati: 1-9 |