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Xavi Ribas, Deanne A. Jackson, Bruno Donnadieu, José Mahía, Teodor Parella, Raül Xifra, Britt Hedman, Keith O. Hodgson, Antoni Llobet, T. Daniel P. Stack
Aryl CbH Activation by CuII To Form an Organometallic Aryl–CuIII Species: A Novel Twist on Copper Disproportionation This research was supported by MICYT of Spain through project PBQ2000-0548 and with the grant SGR-3102-UG-01 as well as t
Angew. Chem. Int. Ed., 2002, 41, 2991-2994
DOI: 10.1002/1521-3773(20020816)41:16<2991::AID-ANIE2991>3.0.CO;2-6

Patrick Bultinck, Ramon Carbó-Dorca
Algebraic relationships between conceptual DFT quantities and the electronegativity equalization hardness matrix
Chemical Physics Letters, 2002, 364, 357-362
DOI: 10.1016/S0009-2614(02)01398-2
Keywords: Molecular similarity

Ramon Carbó-Dorca, Emili Besalú
Fundamental quantum QSAR (Q2SAR) equation: extensions, nonlinear terms, and generalizations within extended Hilbert-Sobolev spaces
Int. J. Quantum Chem., 2002, 88, 167-182
DOI: 10.1002/qua.10081

Lluís Amat, Ramon Carbó-Dorca
Use of promolecular ASA density functions as a general algorithm to obtain starting MO in SCF calculations
Int. J. Quantum Chem., 2002, 87, 59-67
DOI: 10.1002/qua.10068
Keywords: Molecular similarity

Joan Colom, Antoni Llobet, Anna Pla-Quintana, Anna Roglans
Preparation of Aniline Derivatives: An Advanced Undergraduate Laboratory Experiment Exploring Catalytic and Stoichiometric Reaction Methodologies
J. Chem. Educ., 2002, 79, 731-
DOI: 10.1021/ed079p731
Keywords: Catalysis, Sustainable Catalysis

Xavier Gironés, Ramon Carbó-Dorca
Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets
J. Chem. Inf. Comput. Sci., 2002, 42, 1185-1193
DOI: 10.1021/ci0202842
Keywords: Molecular similarity

Xavier Gironés, Ramon Carbó-Dorca
Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems
J. Chem. Inf. Comput. Sci., 2002, 42, 317-325
DOI: 10.1021/ci0103370
Keywords: Molecular similarity

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
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
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

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