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Results: 482

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

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

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

Albert Poater, A. G. Saliner, Luigi Cavallo, M. Poch, Miquel Sola, A. P. Worth
Tuning the Electronic Properties by Width and Length Modifications of Narrow- Diameter Carbon Nanotubes for Nanomedicine
CMC, 2012, 19, 5219-5225
DOI: 10.2174/092986712803530548

Francisco Nuñez-Zarur, Jordi Poater, Luís Rodríguez-Santiago, Xavier Solans-Monfort, Miquel Solà, Mariona Sodupe
On the electronic structure of second generation HoveydaGrubbs alkene metathesis precursors
Computational and Theoretical Chemistry, 2012, 996, 57-67
DOI: 10.1016/j.comptc.2012.07.015

Marc Garcia-Borràs, Adrian Romero-Rivera, Sílvia Osuna, Josep M. Luis, Marcel Swart, Miquel Solà
The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes
J. Chem. Theory Comput., 2012, 8, 1671-1683
DOI: 10.1021/ct300044x

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