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Results: 1053

Miquel Torrent-Sucarrat, Josep M. Luis, Miquel Duran, Alejandro Toro-Labbé, Miquel Solà
Relations among several nuclear and electronic density functional reactivity indexes
J. Chem. Phys., 2003, 119, 9393
DOI: 10.1063/1.1615763

Lluís Blancafort, Miquel Torrent-Sucarrat, Josep M. Luis, Miquel Duran, Miquel Solà
Evaluation of the Analogy between Exceptions to the Generalized Maximum Hardness Principle for Non-Totally-Symmetric Vibrations and the Pseudo-JahnTeller Effect
J. Phys. Chem. A, 2003, 107, 7337-7339
DOI: 10.1021/jp034557n

Miguel Costas, Lawrence Que
Ligand topology tuning of non-heme iron-catalyzed hydrocarbon oxidations
Journal of Inorganic Biochemistry, 2003, 96, 120
DOI: 10.1016/S0162-0134(03)80596-2

Judit Masllorens, Marcial Moreno-Mañas, Anna Pla-Quintana, Anna Roglans
First Heck Reaction with Arenediazonium Cations with Recovery of Pd-Triolefinic Macrocyclic Catalyst
Org. Lett., 2003, 5, 1559-1561
DOI: 10.1021/ol034340b

Pedro Salvador, Joseph E. Curtis, Douglas J. Tobias, Pavel Jungwirth
Polarizability of the nitrate anion and its solvation at the air/water interface
Phys. Chem. Chem. Phys., 2003, 5, 3752-3757
DOI: 10.1039/b304537d

Lluís Blancafort, Paolo Celani, Michael J. Bearpark, Michael A. Robb
A valence-bond-based complete-active-space self-consistent-field method for the evaluation of bonding in organic molecules
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2003, 110, 92-99
DOI: 10.1007/s00214-003-0459-x

Emili Besalú, Xavier Gironés, Lluís Amat, Ramon Carbó-Dorca
Molecular Quantum Similarity and the Fundamentals of QSAR
Acc. Chem. Res., 2002, 35, 289-295
DOI: 10.1021/ar010048x

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

Ramon Carbí-Dorca, Emili Besalí
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

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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