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Results: 1707

Gemma Moiset, Anna D. Cirac, Marc C. A. Stuart, Siewert-Jan Marrink, Durba Sengupta, Bert Poolman, Peter Butko
Dual Action of BPC194: A Membrane Active Peptide Killing Bacterial Cells
PLoS ONE, 2013, 8, e61541
DOI: 10.1371/journal.pone.0061541

Albert Poater, Laura Falivene, César A. Urbina-Blanco, Simone Manzini, Steven P. Nolan, Luigi Cavallo
Steric Maps to Evaluate the Role of Steric Hindrance on the IPr NHC Ligand
Procedia Computer Science, 2013, 18, 845-854
DOI: 10.1016/j.procs.2013.05.249

David Zanuy, Bruno Teixeira-Dias, Luis J. del Valle, Jordi Poater, Miquel Solà, Carlos Alemán
Examining the formation of specific interactions between poly(3,4-ethylenedioxythiophene) and nucleotide bases
RSC Adv., 2013, 3, 2639-2649
DOI: 10.1039/c2ra22640e

Marcel Swart, Sílvia Osuna, Marc Garcia-Borràs, Josep M. Luis and Miquel Solà
Regioselectividad en fullerenos, una visión computacional; Regioselectivity in fullerenes, a computational view
RSEQ, 2013, 109, 11-19
DOI: RSEQ

Emili Besalú
The connection between inverse and classical calibration
Talanta, 2013, 116, 45-49
DOI: 10.1016/j.talanta.2013.04.054

Ouissam El Bakouri, Martí Fernández, Sandra Brun, Anna Pla-Quintana, Anna Roglans
A simple catalytic system based on PdCl2(CH3CN)2 in water for cross-coupling reactions using diazonium salts
Tetrahedron, 2013, 69, 9761-9765
DOI: 10.1016/j.tet.2013.09.010

Pedro Salvador, Eloy Ramos-Cordoba
Communication: An approximation to Bader’s topological atom
The Journal of Chemical Physics , 2013, 139, 071103-
DOI: 10.1063/1.4818751
Keywords: Ab initio theory, Chemical bonding, Computational chemistry, Real-space analysis

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

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