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Results: 777

Marcial Moreno-Mañas, Roser Pleixats, Jan Spengler, Carole Chevrin, Boris Estrine, Sandrine Bouquillon, Françoise Hénin, Jacques Muzart, Anna Pla-Quintana, Anna Roglans
15-Membered Triolefinic Macrocycles − Catalytic Role of (E,E,E)-1,6,11-Tris(arenesulfonyl)-1,6,11-triazacyclopentadeca-3,8,13-triene Complexes of Palladium(0) in the Presence of Phosphanes
Eur. J. Org. Chem., 2003, 2003, 274-283
DOI: 10.1002/ejoc.200390029
Keywords: Catalysis, Organometallics, Reaction mechanisms

Miquel Costas, Raul Xifra, Antoni Llobet, Miquel Solà, Juvencio Robles, Teodor Parella, Helen Stoeckli-Evans, Markus Neuburger
Dinuclear Copper(I) Complexes with Hexaaza Macrocyclic Dinucleating Ligands: Structure and Dynamic Properties
Inorg. Chem., 2003, 42, 4456-4468
DOI: 10.1021/ic0261833

Miquel Torrent-Sucarrat, Miquel Solà, Miquel Duran, Josep M. Luis, Bernard Kirtman
Basis set and electron correlation effects on ab initio electronic and vibrational nonlinear optical properties of conjugated organic molecules
J. Chem. Phys., 2003, 118, 711
DOI: 10.1063/1.1521725

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

Mauricio Cafiero, Ludwik Adamowicz, Miquel Duran, Josep M. Luis
Nonadiabatic and Born–Oppenheimer calculations of the polarizabilites of LiH and LiD
Journal of Molecular Structure: THEOCHEM, 2003, 633, 113-122
DOI: 10.1016/S0166-1280(03)00266-5
Keywords: Ab initio theory, Computational chemistry, Method development, Nonlinear optical properties

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

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

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

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