Fernandes, PA; Carvalho, AP; Ramalho, JPP. 1995. Path integral Monte Carlo simulations: Study of the efficiency of energy estimators. The Journal of Chemical Physics, 103(13), 5720 DOI: 10.1063/1.470554
Carvalho, AJP; Cordeiro, MNDS; Gomes, JANF. 1996. Simulation of the electron transfer process Cu2+ + Cu2+ ⇌ Cu+ + Cu2+ in aqueous solution. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 371(1-3), 185 DOI: 10.1016/s0166-1280(96)04668-4
Carvalho, AP; Cordeiro, MNDS; Gomes, JANF. 1999. Influence of interionic separation in electron transfer reactions. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 488(1-3), 169 DOI: 10.1016/s0166-1280(98)00630-7
Carvalho, AP; Cordeiro, MNDS; Gomes, JANF. 1999. Influence of interionic separation in electron transfer reactions. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 488(1-3), 169 DOI: 10.1016/s0166-1280(98)00630-7
Palace Carvalho, AJ; Ferreira, T; Estêvão Candeias, AJ; Prates Ramalho, JP. 2005. Molecular simulations of nitrogen adsorption in pure silica MCM-41 materials. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 729(1-2), 65 DOI: 10.1016/j.theochem.2005.01.057
Carvalho, AP; Gomes, JANF; Cordeiro, MNDS. 2000. Parallel Implementation of a Monte Carlo Molecular Simulation Program. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 40(3), 588
Palace Carvalho, AJ; Ferreira, T; Estêvão Candeias, AJ; Prates Ramalho, JP. 2005. Molecular simulations of nitrogen adsorption in pure silica MCM-41 materials. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 729(1-2), 65 DOI: 10.1016/j.theochem.2005.01.057
Dordio, AV; Teimão, J; Ramalho, I; Carvalho, AJP; Candeias, AJE. 2007. Selection of a support matrix for the removal of some phenoxyacetic compounds in constructed wetlands systems. SCIENCE OF THE TOTAL ENVIRONMENT, 380(1-3), 237 DOI: 10.1016/j.scitotenv.2007.02.015
Carvalho, AJPalace; Ramalho, JPPrates; Villiéras, F. 2007. Simulation study of argon adsorption on (0 0 1) faces of phyllosilicates. APPLIED SURFACE SCIENCE, 253(13), 5628 DOI: 10.1016/j.apsusc.2006.12.081
Rakhmatkariev, GU; Palace Carvalho, AJ; Ramalho, JP. 2007. Experimental and simulation study of n-heptane adsorption on rutile. Adsorption Science and Technology, 25(7), 517 DOI: 10.1260/0263-6174.25.7.517
Carvalho, AJP; Ramalho, JPP; Martins, LFG. 2007. Excess thermodynamics of mixtures involving xenon and light linear alkanes by computer simulation. JOURNAL OF PHYSICAL CHEMISTRY B, 111(23), 6437 DOI: 10.1021/jp070936v
Carreira, M; Estevao Candeias, A; Manhit, A; Costa, CT; Mendes, PJ; Palace Carvalho, AJ; Prates Ramalho, JP. 2008. Theoretical study on the influence of iron mordantin the optical properties of natural dyes. Materials Science Forum, 587-588, 608 DOI: 10.4028/www.scientific.net/msf.587-588.608
Carreira, M; Estevao Candeias, A; Manhit, A; Costa, CT; Mendes, PJ; Palace Carvalho, AJ; Prates Ramalho, JP. 2008. Theoretical study on the influence of iron mordantin the optical properties of natural dyes. Materials Science Forum, 587-588, 608 DOI: 10.4028/www.scientific.net/msf.587-588.608
Rakhmatkariev, GU; Carvalho, AJP; Ramalho, LJPP. 2007. Adsorption of normal pentane on the surface of rutile. Experimental results and simulations. LANGMUIR, 23(14), 7555 DOI: 10.1021/la063113q
Rakhmatkariev, GU; Carvalho, AJP; Ramalho, LJPP. 2007. Adsorption of normal pentane on the surface of rutile. Experimental results and simulations. LANGMUIR, 23(14), 7555 DOI: 10.1021/la063113q
Dordio, A; Carvalho, AJP; Pinto, AP. 2008. Wetlands: Water "living filters"?. Wetlands: Ecology, Conservation and Restoration, 15
Martin Do Canto, AMT; Carvalho, AJP; Ramalho, JPP; Loura, LMS. 2008. T-20 and T-1249 HIV fusion inhibitors' structure and conformation in solution: A molecular dynamics study. JOURNAL OF PEPTIDE SCIENCE, 14(4), 442 DOI: 10.1002/psc.982
Martin Do Canto, AMT; Carvalho, AJP; Ramalho, JPP; Loura, LMS. 2008. T-20 and T-1249 HIV fusion inhibitors' structure and conformation in solution: A molecular dynamics study. JOURNAL OF PEPTIDE SCIENCE, 14(4), 442 DOI: 10.1002/psc.982
Dordio, Ana V; Carvalho, AJPalace; Pinto, Ana Paula; Dias, Cristina Barrocas. 2008. Decontamination of pesticide-polluted water by constructed wetlands. Pesticide Research Trends, 101
Dordio, AV; Duarte, C; Barreiros, M; Carvalho, AJP; Pinto, AP; da Costa, CT. 2009. Toxicity and removal efficiency of pharmaceutical metabolite clofibric acid by Typha spp. - Potential use for phytoremediation?. BIORESOURCE TECHNOLOGY, 100(3), 1156 DOI: 10.1016/j.biortech.2008.08.034