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Albert Poater, Sai Vikrama Chaitanya Vummaleti, Luigi Cavallo
Catalytic Role of Nickel in the Decarbonylative Addition of Phthalimides to Alkynes
Organometallics, 2013, 32, 6330-6336
DOI: 10.1021/om400693v

Alexander A. Voityuk
Effects of dynamic disorder on exciton delocalization and photoinduced charge separation in DNA
Photochem. Photobiol. Sci., 2013, 12, 1303-1309
DOI: 10.1039/c2pp25389e

Quansong Li, Lluís Blancafort
Photochemistry and photophysics of the amino and imino tautomers of 1-methylcytosine: tautomerisation as a side product of the radiationless decay
Photochem. Photobiol. Sci., 2013, 12, 1401-1408
DOI: 10.1039/c3pp50061f

Mikael P. Johansson, Marcel Swart
Intramolecular halogenhalogen bonds?
Phys. Chem. Chem. Phys., 2013, 15, 11543-11553
DOI: 10.1039/c3cp50962a

Eduard Matito, Pedro Salvador, Jacek Styszyński
Benchmark calculations of metal carbonyl cations: relativistic vs. electron correlation effects
Phys. Chem. Chem. Phys., 2013, 15, 20080-20090
DOI: 10.1039/c3cp51798e

Matija Zlatar, Maja Gruden-Pavlović, Mireia Güell, Marcel Swart
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
Phys. Chem. Chem. Phys., 2013, 15, 6631-6639
DOI: 10.1039/c2cp43735j
OpenAccess: –
Keywords: Spin states

Frank H. Wallrapp, Alexander A. Voityuk, Victor Guallar, Qiang Cui
In-silico Assessment of Protein-Protein Electron Transfer. A Case Study: Cytochrome c Peroxidase – Cytochrome c
PLoS Comput Biol, 2013, 9, e1002990
DOI: 10.1371/journal.pcbi.1002990

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