| 1 |
Study of the Stepwise Deprotonation Reactions of Glyphosate and the Corresponding pK(a) Values in Aqueous Solution
Peixoto MM, Bauerfeldt GF, Herbst MH, Pereira MS, da Silva CO
Journal of Physical Chemistry A, 119(21), 5241, 2015 |
| 2 |
A quantum mechanical strategy to investigate the structure of liquids: The cases of acetonitrile, formamide, and their mixture
Mennucci B, da Silva CO
Journal of Physical Chemistry B, 112(22), 6803, 2008 |
| 3 |
Parametrizing PCM to obtain solvation free energies from group contributions. 1
Mendes CLD, da Silva CO, da Silva EC
Journal of Physical Chemistry A, 110(11), 4034, 2006 |
| 4 |
Comment on'thermodynamic cycles and the calculation of pK(a)' [Chem. Phys. Lett. 367 (2003) 145]
da Silva CO, da Silva EC, Nascimento MAC
Chemical Physics Letters, 381(1-2), 244, 2003 |
| 5 |
Combining microsolvation and polarizable continuum studies: New insights in the rotation mechanism of amides in water
da Silva CO, Mennucci B, Vreven T
Journal of Physical Chemistry A, 107(34), 6630, 2003 |
| 6 |
The ONIOM-PCM method: Combining the hybrid molecular orbital method and the polarizable continuum model for solvation. Application to the geometry and properties of a merocyanine in solution
Vreven T, Mennucci B, da Silva CO, Morokuma K, Tomasi J
Journal of Chemical Physics, 115(1), 62, 2001 |
| 7 |
Refinements on solvation continuum models: Hydrogen-bond effects on the OH stretch in liquid water and methanol
Cappelli C, Mennucci B, da Silva CO, Tomasi J
Journal of Chemical Physics, 112(12), 5382, 2000 |
| 8 |
Ab initio calculations of absolute pK(a) values in aqueous solution I. Carboxylic acids
da Silva CO, da Silva EC, Nascimento MAC
Journal of Physical Chemistry A, 103(50), 11194, 1999 |
