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Publications of Author

1. Carlos Alemán, Jordi Casanovas, Sérgio E. Galembeck
   PAPQMD parametrization of molecular systems with cyclopropyl rings: Conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1998, v:12, n:3, pp:259-273 [Journal]
   
2. Carlos Alemán, F. Javier Luque, Modesto Orozco
   A new scaling procedure to correct semiempirical MEP and MEP-derived properties. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1993, v:7, n:6, pp:721-742 [Journal]
   
3. Carlos Alemán, Modesto Orozco
   On the suitability of semiempirical calculations as sources of force field parameters. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1992, v:6, n:4, pp:331-348 [Journal]
   
4. Carlos Alemán, Juan J. Perez
   SCF-MO study of the polyglycine II structure. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1993, v:7, n:2, pp:241-250 [Journal]
   
5. Jordi Casanovas, Carlos Alemán
   A quantum-mechanical study of the chain-length dependent stability of the extended and 3₁₀-helix conformations in dehydroalanine oligopeptides. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1994, v:8, n:4, pp:441-448 [Journal]
   
6. Adriana M. Namba, Salvador León, Gil Valdo José da Silva, Carlos Alemán
   Force-field parametrization and molecular dynamics simulations of p-menthan-3, 9-diols: a family of amphiphilic compounds derived from terpenoids. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 2001, v:15, n:3, pp:235-245 [Journal]
   
7. David Curcó, Carlos Alemán
   Performance of SuSi: A method for generating atomistic models of amorphous polymers based on a random search of energy minima. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2004, v:25, n:6, pp:790-798 [Journal]
   
8. David Curcó, David Zanuy, Carlos Alemán
   EVEBAT: A fast strategy for the examination of the empty space in polymer matrices. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:10, pp:1208-1214 [Journal]
   
9. Salvador León, Carlos Alemán, Francesc Escalé, Manuel Laso
   MCDP: an advanced tool to simulate comb-like polymers. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2001, v:22, n:2, pp:162-171 [Journal]
   
10. Salvador León, David Zanuy, Carlos Alemán
    Influence of the presence of small gas molecules in the structure of comblike polyacrylates: A Monte Carlo study. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:7, pp:685-696 [Journal]
    
11. F. Javier Luque, Margarida Bachs, Carlos Alemán, Modesto Orozco
    Extension of MST/SCRF method to organic solvents: Ab initio and semiempirical parametrization for neutral solutes in CCl4. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:7, pp:806-820 [Journal]
    
12. David Zanuy, Carlos Alemán, Manuel Laso, Sebastián Muñoz-Guerra
    Thermally induced phase transition in helical comblike poly(-peptide)s: An atomistic simulation. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:6, pp:770-778 [Journal]