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Results:
1-17
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Results: 17
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
Authors:
de Souza, LES
Canuto, S
Citation: Les. De Souza et S. Canuto, Efficient estimation of second virial coefficients of fused hard-sphere molecules by an artificial neural network, PHYS CHEM P, 3(21), 2001, pp. 4762-4768
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
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
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
Authors:
Abreu, EP
Castro, MA
Costa, MF
Canuto, S
Citation: Ep. Abreu et al., Calculated infrared, Raman, and Rayleigh properties of the CO2 molecule, J MOL SPECT, 202(2), 2000, pp. 281-284
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
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
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
Authors:
Urahata, S
Canuto, S
Citation: S. Urahata et S. Canuto, Monte Carlo-quantum mechanics study of the UV-visible spectrum of benzophenone in water, INT J QUANT, 80(4-5), 2000, pp. 1062-1067
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
Authors:
Rivelino, R
Canuto, S
Citation: R. Rivelino et S. Canuto, An ab initio study of the hydrogen-bonded H2O : HCN and HCN : H2O isomers, CHEM P LETT, 322(3-4), 2000, pp. 207-212
Authors:
Serrano, A
Canuto, S
Castro, MA
Citation: A. Serrano et al., Calculated Raman and Rayleigh properties of the CaC molecule, THEOCHEM, 489(1), 1999, pp. 29-34
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
Authors:
Cunha, C
Canuto, S
Citation: C. Cunha et S. Canuto, Ground state structure of C5H5 and van der Waals interaction with He and Ne, THEOCHEM, 464(1-3), 1999, pp. 73-77
Authors:
Smeyers, YG
Canuto, S
Citation: Yg. Smeyers et S. Canuto, Theoretical chemistry - A selection of papers from the Ninth Brazilian Symposium of Theoretical Chemistry, Caxambu, MG, Brazil, 16-19 November 1997 -Preface, THEOCHEM, 464(1-3), 1999, pp. IX-IX
Authors:
Urahata, S
Canuto, S
Citation: S. Urahata et S. Canuto, Monte Carlo study of the temperature dependence of the hydrophobic hydration of benzene, CHEM P LETT, 313(1-2), 1999, pp. 235-240
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