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Results: 1751

Jordi Poater, Marcel Swart and Miquel Solà
An Assessment of the Validity of the Maximum Hardness Principle in Chemical Reactions
J. Mex. Chem. Soc., 2012, 56, 311 – 315
DOI: ISSN 1870-249X

Lluís Blancafort, Ffrancon Williams
Role of Hyperconjugation in the 1,2-Shift Reactivity of Bicyclo[2.1.0]pentane and Cyclopropane Radical Cations: A Computational Study
J. Phys. Chem. A, 2012, 116, 10607-10614
DOI: 10.1021/jp307532b

Cristina Butchosa, Sílvia Simon, Lluís Blancafort, Alexander A. Voityuk
MS-CASPT2 Study of Hole Transfer in GuanineIndole Complexes Using the Generalized MullikenHush Method: Effective Two-State Treatment
J. Phys. Chem. B, 2012, 116, 7815-7820
DOI: 10.1021/jp303675h

Carles Curutchet, Alexander A. Voityuk
Distance Dependence of Triplet Energy Transfer in Water and Organic Solvents: A QM/MD Study
J. Phys. Chem. C, 2012, 116, 22179-22185
DOI: 10.1021/jp306280y

Quansong Li, Annapaola Migani, Lluís Blancafort
Wave Packet Dynamics at an Extended Seam of Conical Intersection: Mechanism of the Light-Induced Wolff Rearrangement
J. Phys. Chem. Lett., 2012, 3, 1056-1061
DOI: 10.1021/jz300235z

Mònica Alonso, Mar Castellanos, Emili Besalú, Juan M. Sanchez
A headspace needle-trap method for the analysis of volatile organic compounds in whole blood
Journal of Chromatography A, 2012, 1252, 23-30
DOI: 10.1016/j.chroma.2012.06.083

Xavier Bantreil, Albert Poater, César A. Urbina-Blanco, Yannick D. Bidal, Laura Falivene, Rebecca A. M. Randall, Luigi Cavallo, Alexandra M. Z. Slawin, Catherine S. J. Cazin
Synthesis and Reactivity of Ruthenium Phosphite Indenylidene Complexes
Organometallics, 2012, 31, 7415-7426
DOI: 10.1021/om300703p

Marina Lamberti, George C. Fortman, Albert Poater, Julie Broggi, Alexandra M. Z. Slawin, Luigi Cavallo, Steven P. Nolan
Coordinatively Unsaturated Ruthenium Complexes As Efficient Alkyne–Azide Cycloaddition Catalysts
Organometallics, 2012, 31, 756-767
DOI: 10.1021/om2012425

Thomas Rünzi, Ulrich Tritschler, Philipp Roesle, Inigo Göttker-Schnetmann, Heiko M. Möller, Lucia Caporaso, Albert Poater, Luigi Cavallo, Stefan Mecking
Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts
Organometallics, 2012, 31, 8388-8406
DOI: 10.1021/om300969d

Jordi Casanovas, David Aradilla, Jordi Poater, Miquel Solà, Francesc Estrany, Carlos Alemán
Properties of poly(3-halidethiophene)s
Phys. Chem. Chem. Phys., 2012, 14, 10050-10062
DOI: 10.1039/c2cp40436b