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Browsing by Author Ramalho, J.P. Prates
Showing results 1 to 17 of 17
| Issue Date | Title | Author(s) | | Aug-2012 | Adsorption of two pesticides on a clay surface: a theoretical study | Ramalho, J.P. Prates; Dordio, A. V.; Carvalho, A. J. Palace |
| 2010 | Adsorption of Xe atoms on the TiO2(110) surface: A density functional study | Gomes, J.R.B.; Ramalho, J.P. Prates; Illas, F. |
| 2009 | Arylid-OX and Arylid-BOX derived catalysts: applications in catalytic asymmetric cyclopropanation | Carreiro, Elisabete Palma; Burke, Anthony J.; Ramalho, J.P. Prates; Rodrigues, Ana Isabel |
| 2004 | Density Functional Theory Calculations on η5-Monocyclopentadienylmetal Complexes with Conjugated Nitrile Chromophores | Mendes, Paulo J.; Ramalho, J.P. Prates; Candeias, A.J.E. |
| 2011 | DFT Studies on the NLO properties of Ruthenium(II) Thienyl Complexes | Mendes, Paulo J.G.; Ramalho, J.P. Prates; Carvalho, A.J. Palace |
| 2010 | DFT studies on thiophene acetylide Ru(II) complexes for nonlinear optics: structure-function relationships and solvent effects | Mendes, Paulo J.; Ramalho, J.P. Prates; Carvalho, A.J. Palace |
| 2010 | DFT studies on thiophene acetylide Ru(II) complexes for nonlinear optics: Structure–function relationships and solvent effects | Mendes, Paulo J.; Silva, Tiago J.L.; Carvalho, A.J. Palace; Ramalho, J.P. Prates |
| 2016 | Diphenylhexatriene membrane probes DPH and TMA-DPH: A comparative molecular dynamics simulation study | do Canto, António M.T.M.; Robalo, João R.; Santos, Patrícia D.; Carvalho, Alfredo J. Palace; Ramalho, J.P. Prates; Loura, Luís M.S. |
| 2010 | Direct calculation of Förster orientation factor of membrane probes by molecular simulation | Loura, Luís M.S.; Carvalho, A.J. Palace; Ramalho, J.P. Prates |
| 2010 | Molecular simulation of C60 adsorption onto a TiO2 rutile (110) surface | Carvalho, A.J. Palace; Ramalho, J.P. Prates |
| 2011 | Mono and Binuclear Complexes for Nonlinear Optical Switching: A DFT Study | Mendes, Paulo J.; Ramalho, J.P. Prates; Carvalho, A.J. Palace |
| 2011 | Mono and Binuclear Complexes for Nonlinear Optical Switching: A DFT Study | Mendes, Paulo J.G.; Ramalho, J.P. Prates; Carvalho, A.J. Palace |
| 2005 | Nonlinear Optical Properties of η5-Monocyclopentadienyliron Complexes From DFT Calculations | Mendes, Paulo J.; Ramalho, J.P. Prates; Candeias, A.J.E. |
| 2011 | Organometallic Complexes for Non-Linear Optical Switching: DFT Evaluation of the B3LYP, CAM-B3LYP and M06 Functionals | Mendes, Paulo J,; Ramalho, J.P. Prates; Carvalho, A.J. Palace |
| 2009 | Role played by the organometallic fragment on the first hyperpolarizability of iron-acetylide complexes: a TD-DFT study | Mendes, Paulo J.; Carvalho, A. J. Palace; Ramalho, J.P. Prates |
| 2011 | Second Order Hyperpolarizabilities Dependence on the Benzenic Ring position of Organic and Organometallic Benzo[c]thiophene species: an assessment by DFT methods | Mendes, Paulo J.; Ramalho, J.P. Prates; Carvalho, A.J. Palace |
| 2014 | η5-Monocyclopenta¬dienylmetal(II) complexes with thienyl acetylide chromophores: synthesis, electrochemical studies and first hyperpolarizabilities | Mendes, Paulo J.; Ramalho, J.P. Prates; Carvalho, A. J. Palace; Silva, Tiago J.L.; Santos, Ana M.; Garcia, M. Helena; Robalo, M. Paula; Büchert, Marina; Wittenburg, Christian; Heck, Jürgen |
Showing results 1 to 17 of 17
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