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Results: 1437

Gregorio Guzmán-Ramírez, Pedro Salvador, Juvencio Robles, Andrés Vega, Faustino Aguilera-Granja
Density functional study of ternary FexCoy Niz (x + y + z = 7) clusters
Theor Chem Acc, 2013, 132, 1318
DOI: 10.1007/s00214-012-1318-4

Albert Poater, Luigi Cavallo
Dancing multiplicity states supported by a carboxylated group in dicopper structures bonded to O2
Theor Chem Acc, 2013, 132, 1336
DOI: 10.1007/s00214-013-1336-x

Albert Poater, Luigi Cavallo
Organometallic copper I, II or III species in an intramolecular dechlorination reaction
Theor Chem Acc, 2013, 132, 1353
DOI: 10.1007/s00214-013-1353-9

Ferran Feixas, Eduard Matito, Jordi Poater, Miquel Solà
Metalloaromaticity
WIREs Comput Mol Sci, 2013, 3, 105-122
DOI: 10.1002/wcms.1115

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

Isaac Garcia-Bosch, Laura Gómez, Alfonso Polo, Xavi Ribas, Miquel Costas
Stereoselective Epoxidation of Alkenes with Hydrogen Peroxide using a Bipyrrolidine-Based Family of Manganese Complexes
Adv. Synth. Catal., 2012, 354, 65-70
DOI: 10.1002/adsc.201100409

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

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