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Results: 1752

Alexander A. Voityuk
Estimation of Electronic Coupling for Photoinduced Charge Separation and Charge Recombination Using the Fragment Charge Difference Method
J. Phys. Chem. C, 2013, 117, 2670-2675
DOI: 10.1021/jp311891h

Emili Besalú, Ramon Carbó-Dorca
Softened electrostatic molecular potentials
Journal of Molecular Graphics and Modelling, 2013, 39, 39-49
DOI: 10.1016/j.jmgm.2012.10.006

Lluís Armangué, Miquel Solà, Marcel Swart
Nuclear magnetic resonance shieldings of water clusters: is it possible to reach the complete basis set limit by extrapolation?
Molecular Physics, 2013, 111, 1332-1344
DOI: 10.1080/00268976.2013.793832

Marcel Swart, F. Matthias Bickelhaupt
Benchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H−+CH4 ® CH4+H−
Molecules, 2013, 18, 7726-7738
DOI: 10.3390/molecules18077726

Daniel A. Horke, Quansong Li, Lluís Blancafort, Jan R. R. Verlet
Ultrafast above-threshold dynamics of the radical anion of a prototypical quinone electron-acceptor
Nature Chem, 2013, 5, 711-717
DOI: 10.1038/NCHEM.1705

Olaf Cussó, Isaac Garcia-Bosch, David Font, Xavi Ribas, Julio Lloret-Fillol, Miquel Costas
Highly Stereoselective Epoxidation with HO2 Catalyzed by Electron-Rich Aminopyridine Manganese Catalysts
Org. Lett., 2013, 15, 6158-6161
DOI: 10.1021/ol403018x

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

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