Organization name
Faculty of Pharmacy

OrgUnit's Researchers publications
(Publicação Unidade orgânica/Workgroup)

Resultados 81-90 de 90.

Data de publicaçãoTítuloAutor(es)TipoAcesso
812000Structural phase transitions in Na, Mg and Al crystals: dominant role of the valence in local pseudopotential theoryPerdew, John P. ; Nogueira, Fernando ; Fiolhais, Carlos articleopenAccess
8222-Mai-2008Structure of Isolated 1,4-Butanediol: Combination of MP2 Calculations, NBO Analysis, and Matrix-Isolation Infrared SpectroscopyJesus, A. J. Lopes ; Rosado, Mário T. S. ; Reva, Igor ; Fausto, Rui ; Eusébio, M. Ermelinda S. ; Redinha, J. S. articleopenAccess
831-Set-2008Structure of the 2-isopropylaminoethanol isolated molecule: Conformational analysis and intramolecular interactionsNunes, Sandra C. C. ; Eusébio, M. Ermelinda S. ; Jesus, A. J. Lopes ; Rosado, Mário T. S. ; Redinha, J. S. articleopenAccess
846-Out-2005Structure−Activity Relationships of New A,D-Ring Modified Steroids as Aromatase Inhibitors: Design, Synthesis, and Biological Activity EvaluationCepa, Margarida M. D. S. ; Silva, Elisiário J. Tavares da ; Correia-da-Silva, Georgina ; Roleira, Fernanda M. F. ; Teixeira, Natércia A. A. articleopenAccess
852002Surface and curvature energies from jellium spheres: Density functional hierarchy and quantum Monte CarloAlmeida, L. M. ; Perdew, John P. ; Fiolhais, Carlos articleopenAccess
862008Synthesis and biochemical studies of 17-substituted androst-3-enes and 3,4-epoxyandrostanes as aromatase inhibitorsCepa, Margarida M. D. S. ; Silva, Elisiário J. Tavares da ; Correia-da-Silva, Georgina ; Roleira, Fernanda M. F. ; Teixeira, Natércia A. A. articleopenAccess
8716-Jun-2006A termodinâmica e o cálculo computacional no estudo da estrutura de compostos orgânicos poli-hidroxiladosJesus, António Jorge Lopes de doctoralThesisembargoedAccess
881997Tests of a density-based local pseudopotential for sixteen simple metalsPollack, L. ; Perdew, John P. ; He, Jingsong; Marques, M. ; Nogueira, Fernando ; Fiolhais, Carlos articleopenAccess
891996Transferability of a local pseudopotential based on solid-state electron densityNogueira, Fernando ; Fiolhais, Carlos ; He, Jingsong; Perdew, John P. ; Rubio, Angel articleopenAccess
9015-Jan-1999Trends in the properties and structures of the simple metals from a universal local pseudopotentialNogueira, Fernando ; Fiolhais, Carlos ; Perdew, John P. articleopenAccess