Molecular dynamics simulations of T-20 HIV fusion inhibitor interacting with model membranes

Autor: do Canto, A.M.T. Martins, Carvalho, A.J. Palace, Ramalho, J.P. Prates, Loura, Luís M.S.

Publikováno v: In Biophysical Chemistry 2011 159(2):275-286

Ultra-sensitive voltammetric sensor for trace analysis of carbamazepine

Autor: Veiga, Alfredina, Dordio, Ana, Carvalho, A.J. Palace, Teixeira, Dora Martins, Teixeira, Jorge Ginja

Publikováno v: In Analytica Chimica Acta 2010 674(2):182-189

DFT Study on Redox-Switchable Second-Order Nonlinear Optical Properties of η5-Monocyclopentadienyliron(II) and Ruthenium(II) Complexes with Benzo[c]thiophene Nitrile Ligand

Autor: Mendes, Paulo J., Ramalho, João P. Prates, Carvalho, A.J. Palace

Publikováno v: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Agência para a Sociedade do Conhecimento (UMIC)-FCT-Sociedade da Informação
instacron:RCAAP

Density functional theory (DFT) has been carried out to investigate the switching of the second-order nonlinear optical (NLO) properties of η5-monocyclopentadienyliron(II) and ruthenium(II) model complexes presenting 5-(3-(thiophen-2-yl)benzo[c]thio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::28ce2409b5a165c45ece6aeadd69508a
http://pubs.acs.org/doi/abs/10.1021/ci300226t

Organometallic Complexes for Non-Linear Optical Switching: DFT Evaluation of the B3LYP, CAM-B3LYP and M06 Functionals

Autor: Mendes, Paulo J, Ramalho, J.P. Prates, Carvalho, A.J. Palace

Publikováno v: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Agência para a Sociedade do Conhecimento (UMIC)-FCT-Sociedade da Informação
instacron:RCAAP

The research of nonlinear optical (NLO) materials has grown in the past decades due to the potential application in optical device technology, like data storage, communication and bio-sensing. For obtaining large molecular second order nonlinear opti

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::2175d3aac321537c02c71a5d532532f9
http://www.watoc2011.com/index.php/home

DFT studies on thiophene acetylide Ru(II) complexes for nonlinear optics: structure-function relationships and solvent effects

Autor: Mendes, Paulo J., Ramalho, J.P. Prates, Carvalho, A.J. Palace

Publikováno v: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Agência para a Sociedade do Conhecimento (UMIC)-FCT-Sociedade da Informação
instacron:RCAAP

Density functional theory (DFT) calculations were employed to investigate the second-order nonlinear optical (SONLO) properties of η5-monocyclopentadienylruthenium(II) thiophene acetylide complexes. From molecular structure, electronic states, and o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::c434756b642f89e019667803bf9f9e6f
https://hdl.handle.net/10174/5340