Browsing by Author Alencastro, Ricardo Bicca de

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Issue DateTitleAuthor(s)
Nov-20093D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexesCunha, Elaine Fontes Ferreira da; Sippl, Wolfgang; Ramalho, Teodoricode Castro; Antunes, Octavio Augusto Ceva; Alencastro, Ricardo Bicca de; Albuquerque, Magaly Girão
Apr-2014Adsorption and desulfurization reaction mechanism of thiophene and its hydrogenated derivatives over NbC(001) and NbN(001): an ab initio DFT studySouza, Eugenio Furtado de; Ramalho, Teodorico C.; Chagas, Carlos Alberto; Alencastro, Ricardo Bicca de
2012Application of 4D-QSAR studies to a series of raloxifene analogs and design of potential selective estrogen receptor modulatorsSodero, Ana Carolina Rennó; Romeiro, Nelilma Correia; Cunha, Elaine F. F. da; Magalhães, Uiaran de Oliveira; Alencastro, Ricardo Bicca de; Rodrigues, Carlos Rangel; Cabral, Lúcio Mendes; Castro, Helena Carla; Albuquerque, Magaly Girão
2016Periodic DFT study on the adsorption and catalytic desulfurization of thiophene over VC(001) and VN(001) via hydrogenation and direct pathwaysSouza, Eugenio Furtado de; Ramalho, Teodorico C.; Alencastro, Ricardo Bicca de
Dec-2012A versatile low temperature solid-state synthesis of vanadium nitride (VN) via a “guanidinium-route”: experimental and theoretical studies from the key-intermediate to the final productSouza, Eugenio Furtado de; Chagas, Carlos Alberto; Ramalho, Teodorico C.; Alencastro, Ricardo Bicca de