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Browsing by Subject DFT
Showing results 18 to 26 of 26
Issue Date | Title | Author(s) | Feb-2017 | Mechanisms of removal of three widespread pharmaceuticals by two clay materials | Dordio, A. V.; Miranda, S.; Prates Ramalho, J. P.; Palace Carvalho, A. J. |
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. |
Sep-2012 | Novel Tetrazine Organometallic Complexes for Nonlinear Optical Switching: a Combined Density Functional Theory and Experimental Study | Mendes, Paulo J. |
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 |
2011 | Organometallic Complexes for Non-Linear Optical Switching: DFT Evaluation of the B3LYP, CAM-B3LYP and M06 Functionals | Mendes, Paulo J.G. |
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 |
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.G. |
2008 | Theoretical Study on the Influence of Iron Mordant in the Optical Properties of Natural Dyes | Candeias, A. Estevão; Costa, C.T.; Carvalho, A.J. Palace; Ramalho, J. P. Prates; Mendes, Paulo J. |
Showing results 18 to 26 of 26
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