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Results: 1524

Ramon Carbó-Dorca, Luz Dary Mercado
Density gradient quantum similarity
AIP Conf Proc, 2012, 1504, 716
DOI: 10.1063/1.4771795
Keywords: Molecular similarity

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

Oleg Y. Lyakin, Irene Prat, Konstantin P. Bryliakov, Miquel Costas, Evgenii P. Talsi
EPR detection of Fe(V)=O active species in nonheme iron-catalyzed oxidations
Catalysis Communications, 2012, 29, 105-108
DOI: 10.1016/j.catcom.2012.09.029

Judith M. Fonville, Marcel Swart, Zuzana Vokáčová, Vladimír Sychrovský, Judit E. Šponer, Jiří Šponer, Cornelis W. Hilbers, F. Matthias Bickelhaupt, Sybren S. Wijmenga
Chemical Shifts in Nucleic Acids Studied by Density Functional Theory Calculations and Comparison with Experiment
Chem-Eur J., 2012, 18, 12372-12387
DOI: 10.1002/chem.201103593

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