| 1 |
Theoretical prediction of binding modes and hot sequences for allopsoralen-DNA interaction
Mendez PS, Guedes RC, dos Santos DJVA, Eriksson LA
Chemical Physics Letters, 450(1-3), 127, 2007 |
| 2 |
Theoretical characterization of aflatoxins and their phototoxic reactions
Guedes RC, Eriksson LA
Chemical Physics Letters, 422(4-6), 328, 2006 |
| 3 |
Kinetic and wet oxidation of phenol catalyzed by non-promoted and potassium-promoted manganese/cerium oxide
Santiago AFJ, Sousa JF, Guedes RC, Jeronimo CEM, Benachour M
Journal of Hazardous Materials, 138(2), 325, 2006 |
| 4 |
Energetics of hydroxybenzoic acids and of the corresponding carboxyphenoxyl radicals. Intramolecular hydrogen bonding in 2-hydroxybenzoic acid
Pinto SS, Diogo HP, Guedes RC, Cabral BJC, da Piedade MEM, Simoes JAM
Journal of Physical Chemistry A, 109(42), 9700, 2005 |
| 5 |
Electronic polarization of liquid water: converged Monte Carlo-quantum mechanics results for the multipole moments
Coutinho K, Guedes RC, Cabral BJC, Canuto S
Chemical Physics Letters, 369(3-4), 345, 2003 |
| 6 |
Binding energy, structure, and vibrational spectra of (HCl)(2-6) and (HF)(2-10) clusters by density functional theory
Guedes RC, do Couto PC, Cabral BJC
Journal of Chemical Physics, 118(3), 1272, 2003 |
| 7 |
The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation
do Couto PC, Guedes RC, Cabral BJC, Simoes JAM
Journal of Chemical Physics, 119(14), 7344, 2003 |
| 8 |
Solvent effects on the energetics of the phenol O-H bond: Differential solvation of phenol and phenoxy radical in benzene and acetonitrile
Guedes RC, Coutinho K, Cabral BJC, Canuto S, Correia CF, dos Santos RMB, Simoes JAM
Journal of Physical Chemistry A, 107(43), 9197, 2003 |
| 9 |
Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution
Guedes RC, Coutinho K, Cabral BJC, Canuto S
Journal of Physical Chemistry B, 107(18), 4304, 2003 |
| 10 |
Energetics of the C-Cl bond in CH3CH(Cl)COOH. Enthalpy of formation of (S)-(-)-2-chloropropionic acid and of the 1-carboxyethyl radical
Lagoa ALC, Diogo HP, da Piedade MEM, Amaral LMPF, Guedes RC, Cabral BJC, Kulikov DV, Verevkin SP, Siedler M, Epple M
Journal of Physical Chemistry A, 106(42), 9855, 2002 |
