 | 2008 |
|---|
| 4 |       | Francisco Rodríguez-Ropero,
Jordi Casanovas,
Carlos Alemán:
Ab initio calculations on pi-stacked thiophene dimer, trimer, and tetramer: Structure, interaction energy, cooperative effects, and intermolecular electronic parameters.
Journal of Computational Chemistry 29(1): 69-78 (2008) |
| 2005 |
|---|
| 3 | | David Curcó,
Jordi Casanovas,
Marc Roca,
Carlos Alemán:
A method for generating reliable atomistic models of amorphous polymers based on a random search of energy minima.
Computer Physics Communications 169(1-3): 335-338 (2005) |
| 1998 |
|---|
| 2 | | 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.
Journal of Computer-Aided Molecular Design 12(3): 259-273 (1998) |
| 1994 |
|---|
| 1 |  | Jordi Casanovas,
Carlos Alemán:
A quantum-mechanical study of the chain-length dependent stability of the extended and 310-helix conformations in dehydroalanine oligopeptides.
Journal of Computer-Aided Molecular Design 8(4): 441-448 (1994) |
