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Results: 1453

Sílvia Osuna, Marcel Swart

Editorial (Hot Topic: Nanoreactors and Molecular Prisons)

COC, 2013, 17, 1469-1469
DOI: 10.2174/1385272811317140002
Keywords: Computational chemistry, Confined space, Density Functional Theory

Albert Poater, Raffaele Credendino, Christian Slugovc, Luigi Cavallo
Exploring new generations of ruthenium olefin metathesis catalysts: the reactivity of a bis-ylidene ruthenium complex by DFT
Dalton Trans., 2013, 42, 7271-7275
DOI: 10.1039/c3dt32884h

Laura Falivene, Albert Poater, Catherine S. J. Cazin, Christian Slugovc, Luigi Cavallo
Energetics of the ruthenium–halide bond in olefin metathesis (pre)catalysts
Dalton Trans., 2013, 42, 7312-7317
DOI: 10.1039/c2dt32277c

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

Maite Canals, Rafael Gonzalez-Olmos, Miquel Costas, Anna Company
Robust Iron Coordination Complexes with N-Based Neutral Ligands As Efficient Fenton-Like Catalysts at Neutral pH
Environmental Science & Technology, 2013, 47, 9918-9927
DOI: 10.1021/es401602t

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

Sílvia Osuna, Seonah Kim, Guillaume Bollot, Kendall N. Houk
Aromatic Claisen Rearrangements of O-Prenylated Tyrosine and Model Prenyl Aryl Ethers: Computational Study of the Role of Water on Acceleration of Claisen Rearrangements
Eur. J. Org. Chem., 2013, 2013, 2823-2831
DOI: 10.1002/ejoc.201201738

David Riegert, Anna Pla-Quintana, Sabine Fuchs, Régis Laurent, Cédric-Olivier Turrin, Carine Duhayon, Jean-Pierre Majoral, Alexandra Chaumonnot, Anne-Marie Caminade
Diversified Strategies for the Synthesis of Bifunctional Dendrimeric Structures
Eur. J. Org. Chem., 2013, 2013, 5414-5422
DOI: 10.1002/ejoc.201300456

Sergi Ruiz-Barragan, Lluís Blancafort
Photophysics of fulvene under the non-resonant stark effect. Shaping the conical intersection seam
Faraday Discuss., 2013, 163, 497-512
DOI: 10.1039/c3fd20155d

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

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