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Robert Ponec, Xavier Girones, Ramon Carbó-Dorca
Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series
J. Chem. Inf. Comput. Sci., 2002, 42, 564-570
DOI: 10.1021/ci0100651
OpenAccess: –
Keywords: Molecular similarity

Xavier Gironés, Lluís Amat, Ramon Carbó-Dorca
Modeling Large Macromolecular Structures Using Promolecular Densities
J. Chem. Inf. Comput. Sci., 2002, 42, 847-852
DOI: 10.1021/ci010348t
OpenAccess: –
Keywords: Molecular similarity

Miquel Torrent-Sucarrat, Josep M. Luis, Miquel Duran, Miquel Solà
Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations?
J. Chem. Phys., 2002, 117, 10561
DOI: 10.1063/1.1517990

Miquel Torrent-Sucarrat, Miquel Solà, Miquel Duran, Josep M. Luis, Bernard Kirtman
Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
J. Chem. Phys., 2002, 116, 5363
DOI: 10.1063/1.1453953

Pedro Salvador, Miquel Duran, Xavier Fradera
A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components
J. Chem. Phys., 2002, 116, 6443
DOI: 10.1063/1.1463439

Xavier Fradera, Miquel Solà
Electron localization and delocalization in open-shell molecules
J. Comput. Chem., 2002, 23, 1347-1356
DOI: 10.1002/jcc.10141

Ramon Carbó-Dorca
Shell Partition and Metric Semispaces: Minkowski Norms, Root Scalar Products, Distances and Cosines of Arbitrary Order
J. Math. Chem., 2002, 32, 201-223
DOI: 10.1023/A:1021250527289
OpenAccess: –
Keywords: Molecular similarity

M. Mas-Torrent, R. A. Rodríguez-Mias, Miquel Solà, M. A. Molins, M. Pons, J. Vidal-Gancedo, J. Veciana, C. Rovira
Isolation and Characterization of Four Isomers of a C₆₀ Bisadduct with a TTF Derivative. Study of Their Radical Ions
J. Org. Chem., 2002, 67, 566-575
DOI: 10.1021/jo010748f

Martin J. Paterson, Lluís Blancafort, Sarah Wilsey, Michael A. Robb
Photoinduced Electron Transfer in Squaraine Dyes:  Sensitization of Large Band Gap Semiconductors
J. Phys. Chem. A, 2002, 106, 11431-11439
DOI: 10.1021/jp026418w

Miquel Torrent-Sucarrat, Miquel Duran, Miquel Solà
Global Hardness Evaluation Using Simplified Models for the Hardness Kernel
J. Phys. Chem. A, 2002, 106, 4632-4638
DOI: 10.1021/jp013249r