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Results: 1265

Eloy Ramos-Cordoba, Eduard Matito, Pedro Salvador, István Mayer
Local spins: improved Hilbert-space analysis
Phys. Chem. Chem. Phys., 2012, 14, 15291-15298
DOI: 10.1039/c2cp42513k

Nick Sablon, Frank De Proft, Miquel Solà, Paul Geerlings
The linear response kernel of conceptual DFT as a measure of aromaticity
Phys. Chem. Chem. Phys., 2012, 14, 3960-3967
DOI: 10.1039/c2cp23372j

Quansong Li, Annapaola Migani, Lluís Blancafort
Irreversible phototautomerization of o-phthalaldehyde through electronic relocation
Phys. Chem. Chem. Phys., 2012, 14, 6561-6568
DOI: 10.1039/c2cp40359e

Alex Domingo, Antonio Rodríguez-Fortea, Marcel Swart, Coen de Graaf, Ria Broer
Ab initio absorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction field
Phys. Rev. B, 2012, 85, 155143
DOI: 10.1103/PhysRevB.85.155143

Alexander A. Voityuk
Drug Design Strategies : Computational Techniques and Applications (Chapter 5)
RSC Drug Discovery, 2012, , 107-119
DOI: 10.1039/9781849733403-00107

Albert Poater, Luigi Cavallo
Deactivation of Ru-benzylidene Grubbs catalysts active in olefin metathesis
Theor Chem Acc, 2012, 131, 1155
DOI: 10.1007/s00214-012-1155-5

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, 2012, 132, 1318
DOI: 10.1007/s00214-012-1318-4

Khatcharin Siriwong, Alexander A. Voityuk
Electron transfer in DNA
WIREs. Comput. Mol. Sci., 2012, 2, 780-794
DOI: 10.1002/wcms.1102

Gonzalo Rodríguez Pérez, John Slof, Magda Solà, Margarita Torrent, Immaculada Vilardell
Assessing the Impact of Fair-Value Accounting on Financial Statement Analysis: A Data Envelopment Analysis Approach
[], 2011, 47, 61-84
DOI: 10.1111/j.1467-6281.2011.00331.x

Mónica Raduán, Joaquim Padrosa, Anna Pla-Quintana, Teodor Parella, Anna Roglans
Functionalization of the 3-Position of Thiophene and Benzo[b]thiophene Moieties by Palladium-Catalyzed CC Bond Forming Reactions using Diazonium Salts
Adv. Synth. Catal., 2011, 353, 2003-2012
DOI: 10.1002/adsc.201100226

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