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Results: 777

Marc Garcia-Borràs, Miquel Solà, Josep M. Luis, Bernard Kirtman
Electronic and Vibrational Nonlinear Optical Properties of Five Representative Electrides
J. Chem. Theory Comput., 2012, 8, 2688-2697
DOI: 10.1021/ct300433q

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

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

Sandra Brun, Anna Pla-Quintana, Anna Roglans, Klaus-Richard Pörschke, Richard Goddard
Nickel(0) Complexes of Polyunsaturated Azamacrocyclic Ligands
Organometallics, 2012, 31, 1983-1990
DOI: 10.1021/om201271y

Sandra Brun, Anna Torrent, Anna Pla-Quintana, Anna Roglans, Xavier Fontrodona, Jordi Benet-Buchholz, Teodor Parella
Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study
Organometallics, 2012, 31, 318-326
DOI: 10.1021/om200927f

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

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