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Results: 1856

Majid El-Hamdi, Ouissam El Bakouri El Farri, Pedro Salvador, BenAli Abdelouahid, MohamedSoussi El Begrani, Jordi Poater, Miquel Solà
Analysis of the Relative Stabilities of Ortho, Meta, and Para MClY(XC4 H4 )(PH3 )2 Heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO)
Organometallics, 2013, 32, 4892-4903
DOI: 10.1021/om400629w

Yevhen Horbatenko, Sergei F. Vyboishchikov
Dynamic Behavior of Hydrogen in Transition Metal Bis(silyl) Hydride Complexes
Organometallics, 2013, 32, 514-526
DOI: 10.1021/om300981y

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

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