Publications Publicações
Papers Artigos
- Adsorption of Ar atoms on the relaxed and defect-free TiO2(110) surface, J.R.B. Gomes and J.P. Prates Ramalho, Physical Review B, 71, 235421 (2005); also published in Virtual Journal of Nanoscale Science & Technology, July 11, 2005, Volume 12, Issue 2.
- Density Functional Theory Calculations on h5-Monocyclopentadienylcobalt Complexes with Conjugated Nitrile Chromophores, J.P. Prates Ramalho, P.J. Mendes, A.J.E. Candeias, M.P. Robalo, M.H. Garcia, Journal of Molecular Structure: Theochem, 729, 109-113 (2005).
- Isbut-Box: A New Chiral C2 Symmetric Bis-Oxazoline for Catalytic Enantioselective Synthesis, E. Palma Carreiro, Serghei Chercheja, Anthony J. Burke, J.P. Prates Ramalho, A.I. Rodrigues, Journal of Molecular Catalysis A:Chemical, 236, 38-45 (2005).
- Molecular simulations of nitrogen adsorption in pure silica MCM-41 materials, A.J. Palace Carvalho, T. Ferreira , A.J. Estêvão Candeias and J.P. Prates Ramalho, Journal of Molecular Structure: Theochem , 729, 65-69 (2005).
- Surface topography problem and argon adsorption on crystalline faces: Monte Carlo and lattice-gas model simulations, J.P. Prates Ramalho, Alexander B. Rabinovich, Denis V. Yeremich and Yuriy K. Tovbin, Applied Surface Science, 252, 529-537 (2005).
- Cesiumauride ammonia (1/1), CsAuNH3 -a crystalline analogue to alkali metals dissolved in ammonia?, A. V. Mudring, M. Jansen, J. Daniels, St. Krämer, M. Mehring, J.P. Prates Ramalho, A.H. Romero and M. Parrinello, Angewandte Chemie Internetional Edition, 41, 120-124 (2002).
- Adsorption integral equation via complex approximation with constraints: General Kernel, V. A. Bushenkov, J. P. Prates Ramalho and G. V. Smirnov, Journal of Computational Chemistry, 22, 1058 (2001).
- Adsorption integral equation via complex approximation with constraints: The Langmuir Kernel, V.A. Bushenkov, J.P. Prates Ramalho and G.V. Smirnov, Jornal of Computational Chemistry, 21, 191-200 (2000).
- On the structure of a local isotherm and solution to the adsorption integral equation, J.P. Prates Ramalho and G.V. Smirnov, Langmuir, 16, 1918 (2000).
- Phase diagram of C60 from ab initio intermolecular potential, A.L. Ferreira, J.M. Pacheco and J.P. Prates Ramalho, Jounal of Chemical Physics, 113, 738 (2000).
Proceedings Actas de Conferência
- Prediction of liquid C60 from ab-initio intermolecular potential, A.L. Ferreira, J.M. Pacheco e J.P. Prates Ramalho, Modelling Complex Systems, Pedro L. Garrido and J. Marro (Eds.), 574, 218-21 (2001).
