| 1 |
First hyperpolarizability of isomers of pyridinium N-phenoxide betaine dye in solution using the ASEC-FEG method
Torres EM, Georg HC, Fonseca TL, Castro MA
Chemical Physics Letters, 699, 261, 2018 |
| 2 |
Electric properties of the 3-methyl-4-nitropyridine-1-oxyde (POM) molecules in solid phase: A theoretical study including environment polarization effect
Santos OL, Sabino JR, Georg HC, Fonseca TL, Castro MA
Chemical Physics Letters, 669, 176, 2017 |
| 3 |
Monte Carlo-Quantum Mechanics Study of Magnetic Properties of Hydrogen Peroxide in Liquid Water
Caputo MC, Provasi PF, Benitez L, Georg HC, Canuto S, Coutinho K
Journal of Physical Chemistry A, 118(32), 6239, 2014 |
| 4 |
Electronic Properties of Water in Liquid Environment. A Sequential QM/MM Study Using the Free Energy Gradient Method
Georg HC, Canuto S
Journal of Physical Chemistry B, 116(36), 11247, 2012 |
| 5 |
Polarization and Spectral Shift of Benzophenone in Supercritical Water
Fonseca TL, Georg HC, Coutinho K, Canuto S
Journal of Physical Chemistry A, 113(17), 5112, 2009 |
| 6 |
NMR Chemical Shielding and Spin-Spin Coupling Constants of Liquid NH3: A Systematic Investigation using the Sequential QM/MM Method
Gester RM, Georg HC, Canuto S, Caputo MC, Provasi PF
Journal of Physical Chemistry A, 113(52), 14936, 2009 |
| 7 |
An efficient statistically converged average configuration for solvent effects
Coutinho K, Georg HC, Fonseca TL, Ludwig V, Canuto S
Chemical Physics Letters, 437(1-3), 148, 2007 |
| 8 |
Converged electronic polarization of acetone in liquid water and the role in the n-pi* transition
Georg HC, Coutinho K, Canuto S
Chemical Physics Letters, 429(1-3), 119, 2006 |
| 9 |
A look inside the cavity of hydrated alpha-cyclodextrin: A computer simulation study
Georg HC, Coutinho K, Canuto S
Chemical Physics Letters, 413(1-3), 16, 2005 |
