Carlos Alemán

2008
17	EE	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)
16	EE	Francisco Rodríguez-Ropero, David Zanuy, Carlos Alemán: Molecular dynamics of a calix[4]arene-containing polymer in dichloromethane solution: Ability of the solvent molecules to fill the cavity of the macrocycle. Journal of Computational Chemistry 29(8): 1233-1241 (2008)
2007
15	EE	David Curcó, Carlos Alemán: Computational tool to model the packing of polycyclic chains: Structural analysis of amorphous polythiophene. Journal of Computational Chemistry 28(10): 1743-1749 (2007)
14	EE	David Curcó, Carlos Alemán: Coarse-graining: A procedure to generate equilibrated and relaxed models of amorphous polymers. Journal of Computational Chemistry 28(12): 1929-1935 (2007)
2005
13	EE	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)
2004
12	EE	David Curcó, Carlos Alemán: Performance of SuSi: A method for generating atomistic models of amorphous polymers based on a random search of energy minima. Journal of Computational Chemistry 25(6): 790-798 (2004)
2003
11	EE	David Curcó, David Zanuy, Carlos Alemán: EVEBAT: A fast strategy for the examination of the empty space in polymer matrices. Journal of Computational Chemistry 24(10): 1208-1214 (2003)
10	EE	David Zanuy, Carlos Alemán, Manuel Laso, Sebastián Muñoz-Guerra: Thermally induced phase transition in helical comblike poly(-peptide)s: An atomistic simulation. Journal of Computational Chemistry 24(6): 770-778 (2003)
2002
9	EE	Salvador León, David Zanuy, Carlos Alemán: Influence of the presence of small gas molecules in the structure of comblike polyacrylates: A Monte Carlo study. Journal of Computational Chemistry 23(7): 685-696 (2002)
2001
8	EE	Salvador León, Carlos Alemán, Francesc Escalé, Manuel Laso: MCDP: an advanced tool to simulate comb-like polymers. Journal of Computational Chemistry 22(2): 162-171 (2001)
7	EE	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. Journal of Computer-Aided Molecular Design 15(3): 235-245 (2001)
1998
6	EE	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)
1996
5	EE	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. Journal of Computational Chemistry 17(7): 806-820 (1996)
1994
4		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)
1993
3		Carlos Alemán, Juan J. Perez: SCF-MO study of the polyglycine II structure. Journal of Computer-Aided Molecular Design 7(2): 241-250 (1993)
2		Carlos Alemán, F. Javier Luque, Modesto Orozco: A new scaling procedure to correct semiempirical MEP and MEP-derived properties. Journal of Computer-Aided Molecular Design 7(6): 721-742 (1993)
1992
1		Carlos Alemán, Modesto Orozco: On the suitability of semiempirical calculations as sources of force field parameters. Journal of Computer-Aided Molecular Design 6(4): 331-348 (1992)

Coauthor Index

1	Margarida Bachs	[5]
2	Jordi Casanovas	[4] [6] [13] [17]
3	David Curcó	[11] [12] [13] [14] [15]
4	Francesc Escalé	[8]
5	Sérgio E. Galembeck	[6]
6	Manuel Laso	[8] [10]
7	Salvador León	[7] [8] [9]
8	F. Javier Luque (Francisco Javier Luque)	[2] [5]
9	Sebastián Muñoz-Guerra	[10]
10	Adriana M. Namba	[7]
11	Modesto Orozco	[1] [2] [5]
12	Juan J. Perez	[3]
13	Marc Roca	[13]
14	Francisco Rodríguez-Ropero	[16] [17]
15	Gil Valdo José da Silva	[7]
16	David Zanuy	[9] [10] [11] [16]

Colors in the list of coauthors