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Results: 763

Albert Poater, Laura Falivene, César A. Urbina-Blanco, Simone Manzini, Steven P. Nolan, Luigi Cavallo
How does the addition of steric hindrance to a typical N-heterocyclic carbene ligand affect catalytic activity in olefin metathesis?
Dalton Trans., 2013, 42, 7433-7439
DOI: 10.1039/c3dt32980a

Jordi Rich, Montserrat Rodríguez, Isabel Romero, Xavier Fontrodona, Piet W. N. M. van Leeuwen, Zoraida Freixa, Xavier Sala, Albert Poater, Miquel Solà
N-Tetradentate SPANamine Derivatives and Their MnII-Complexes as Catalysts for Epoxidation of Alkenes
Eur. J. Inorg. Chem., 2013, 2013, 1213-1224
DOI: 10.1002/ejic.201201154

Miquel Solà
Forty years of Clar’s aromatic π-sextet rule
Front. Chem., 2013, 1, ASAP-
DOI: 10.3389/fchem.2013.00022
Keywords: Aromaticity, Chemical bonding, Computational chemistry, Density Functional Theory, Electron delocalization

Majid El-Hamdi, Jordi Poater, F. Matthias Bickelhaupt, Miquel Solà
X2Y2 Isomers: Tuning Structure and Relative Stability through Electronegativity Differences (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te)
Inorg. Chem., 2013, 52, 2458-2465
DOI: 10.1021/ic3023503

Lydia Vaquer, Albert Poater, Jonathan De Tovar, Jordi García-Antón, Miquel Solà, Antoni Llobet, Xavier Sala
Ruthenium Complexes with Chiral Bis-Pinene Ligands: an Array of Subtle Structural Diversity
Inorg. Chem., 2013, 52, 4985-4992
DOI: 10.1021/ic302678b

Syud M. Ahmed, Albert Poater, M. Ian Childers, Peter C. B. Widger, Anne M. LaPointe, Emil B. Lobkovsky, Geoffrey W. Coates, Luigi Cavallo
Enantioselective Polymerization of Epoxides Using Biaryl-Linked Bimetallic Cobalt Catalysts: A Mechanistic Study
J. Am. Chem. Soc., 2013, 135, 18901-18911
DOI: 10.1021/ja409521z

Julie Broggi, Václav Jurčík, Olivier Songis, Albert Poater, Luigi Cavallo, Alexandra M. Z. Slawin, Catherine S. J. Cazin
The Isolation of [Pd{OC(O)H}(H)(NHC)(PR3 )] (NHC = N-Heterocyclic Carbene) and Its Role in Alkene and Alkyne Reductions Using Formic Acid
J. Am. Chem. Soc., 2013, 135, 4588-4591
DOI: 10.1021/ja311087c

César A. Urbina-Blanco, Albert Poater, Tomas Lebl, Simone Manzini, Alexandra M. Z. Slawin, Luigi Cavallo, Steven P. Nolan
The Activation Mechanism of Ru-Indenylidene Complexes in Olefin Metathesis
J. Am. Chem. Soc., 2013, 135, 7073-7079
DOI: 10.1021/ja402700p

Robert Zaleśny, Robert W. Góra, Justyna Kozłowska, Josep M. Luis, Hans Ågren, Wojciech Bartkowiak
Resonant and Nonresonant Hyperpolarizabilities of Spatially Confined Molecules: A Case Study of Cyanoacetylene
J. Chem. Theory Comput., 2013, 9, 3463-3472
DOI: 10.1021/ct400410m

Marc Garcia-Borràs, Miquel Solà, David Lauvergnat, Heribert Reis, Josep M. Luis, Bernard Kirtman
A Full Dimensionality Approach to Evaluate the Nonlinear Optical Properties of Molecules with Large Amplitude Anharmonic Tunneling Motions
J. Chem. Theory Comput., 2013, 9, 520-532
DOI: 10.1021/ct300805p

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