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Emili Besalú
Fast Computation of Cross-Validated Properties in Full Linear Leave-Many-Out Procedures
[], 2001, 29, 191-204
DOI: 10.1023/A:1010924406885

Emili Besalú, Leonel Vera
On the optimal selection of principal components in QSPR studies
[], 2001, 29, 21-34
DOI: 10.1023/A:1011018900360

Ramon Carbó-Dorca, Emili Besalú
Extended Sobolev and Hilbert spaces and approximate stationary solutions for electronic systems within the non-linear Schrödinger equation.
[], 2001, 29, 3-20
DOI: 10.1023/A:1011085616290

Emili Besalú, Ramon Carbó-Dorca, J. Karwowski
Generalized one-electron spin functions and self-similarity measures
[], 2001, 29, 41-45
DOI: 10.1023/A:1011023001269

Emili Besalú, Ana Gallegos, Ramon Carbó-Dorca
Topological Quantum Similarity Indices and Their Use in QSAR: Application to Several Families of Antimalarial Compounds
Commun. Match. Comp. Chem., 2001, 44, 41-64
DOI: ISSN 340-6253

Zexing Cao, Miquel Solà, Hui Xian, Miquel Duran, Qianer Zhang
Density functional theory study of the structures and stabilities of CuO and CuO₃
Int. J. Quant. Chem., 2001, 81, 162-168
DOI: 10.1002/1097-461X(2001)81:2<162::AID-QUA8>3.0.CO;2-A

Luigi Cavallo, Miquel Solà
A Theoretical Study of Steric and Electronic Effects in the Rhodium-Catalyzed Carbonylation Reactions
J. Am. Chem. Soc., 2001, 123, 12294-12302
DOI: 10.1021/ja016468z

Miquel Torrent-Sucarrat, Josep M. Luis, Miquel Duran, Miquel Solà
On the Validity of the Maximum Hardness and Minimum Polarizability Principles for Nontotally Symmetric Vibrations
J. Am. Chem. Soc., 2001, 123, 7951-7952
DOI: 10.1021/ja015737i

L. Amat, Emili Besalú, Ramon Carbo-Dorca, R. Ponec
Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures
J. Chem. Inf. Model., 2001, 41, 978-991
DOI: 10.1021/ci000160u

Pedro Salvador, Miquel Duran, István Mayer
One- and two-center energy components in the atoms in molecules theory
J. Chem. Phys., 2001, 115, 1153
DOI: 10.1063/1.1381407