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Results: 873

Alexander A. Voityuk
Intermediate neglect of differential overlap for spectroscopy
WIREs. Comput. Mol. Sci., 2013, 3, 515-527
DOI: 10.1002/wcms.1141

Yuri A. Berlin, Alexander A. Voityuk, Mark A. Ratner
DNA Base Pair Stacks with High Electric Conductance: A Systematic Structural Search
ACS Nano, 2012, 6, 8216-8225
DOI: 10.1021/nn3030139

Miquel Solà, Josep M. Luis, Miquel Torrent-Sucarrat
On the reliability of the maximum hardness and minimum polarizability principles in nontotally symmetric vibrations
AIP Conference Proceedings, 2012, 1504, 578
DOI: 10.1063/1.4771762

Simone Manzini, César A. Urbina-Blanco, Albert Poater, Alexandra M. Z. Slawin, Luigi Cavallo, Steven P. Nolan
From Olefin Metathesis Catalyst to Alcohol Racemization Catalyst in One Step
Angew. Chem. Int. Ed., 2012, 51, 1042-1045
DOI: 10.1002/anie.201106915

Anita Leitgeb, Mudassar Abbas, Roland C. Fischer, Albert Poater, Luigi Cavallo, Christian Slugovc
A latent ruthenium based olefin metathesis catalyst with a sterically demanding NHC ligand
Catal. Sci. Technol., 2012, 2, 1640-1643
DOI: 10.1039/c2cy20311a

Magda Parera, Anna Dachs, Miquel Solà, Anna Pla-Quintana, Anna Roglans
Direct Detection of Key Intermediates in Rhodium(I)-Catalyzed [2+2+2] Cycloadditions of Alkynes by ESI-MS
Chem-Eur J., 2012, 18, 13097-13107
DOI: 10.1002/chem.201200880

Subrata Kundu, Eduard Matito, Stephan Walleck, Florian F. Pfaff, Florian Heims, Battist Rábay, Josep M. Luis, Anna Company, Beatrice Braun, Thorsten Glaser, Kallol Ray
OO Bond Formation Mediated by a Hexanuclear Iron Complex Supported on a Stannoxane Core
Chem-Eur J., 2012, 18, 2787-2791
DOI: 10.1002/chem.201102326

Marc Garcia-Borràs, Sílvia Osuna, Josep M. Luis, Marcel Swart, Miquel Solà
The exohedral diels-alder reactivity of the titanium carbide endohedral metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D 3h-C78 (M=Sc and Y) Reactivity
Chem-Eur J., 2012, 18, 7141-7154
DOI: 10.1002/chem.201103701

Sílvia Osuna, Ramón Valencia, Antonio Rodríguez-Fortea, Marcel Swart, Miquel Solà, Josep M. Poblet
Full Exploration of the Diels-Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster
Chem-Eur J., 2012, 18, 8944-8956
DOI: 10.1002/chem.201200940

Sílvia Osuna, Antonio Rodríguez-Fortea, Josep M. Poblet, Miquel Solà, Marcel Swart
Product formation in the Prato reaction on Sc3N@D5h-C80: preference for [5,6]-bonds, and not pyracylenic bonds
Chem. Commun., 2012, 48, 2486-2488
DOI: 10.1039/c2cc17210k