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Results: 506

Marc Garcia-Borràs, Miquel Solà, Josep M. Luis, Bernard Kirtman
Electronic and Vibrational Nonlinear Optical Properties of Five Representative Electrides
J. Chem. Theory Comput., 2012, 8, 2688-2697
DOI: 10.1021/ct300433q

Cristina Butchosa, Sílvia Simon, Lluís Blancafort, Alexander A. Voityuk
MS-CASPT2 Study of Hole Transfer in GuanineIndole Complexes Using the Generalized MullikenHush Method: Effective Two-State Treatment
J. Phys. Chem. B, 2012, 116, 7815-7820
DOI: 10.1021/jp303675h

Carles Curutchet, Alexander A. Voityuk
Distance Dependence of Triplet Energy Transfer in Water and Organic Solvents: A QM/MD Study
J. Phys. Chem. C, 2012, 116, 22179-22185
DOI: 10.1021/jp306280y

Xavier Bantreil, Albert Poater, César A. Urbina-Blanco, Yannick D. Bidal, Laura Falivene, Rebecca A. M. Randall, Luigi Cavallo, Alexandra M. Z. Slawin, Catherine S. J. Cazin
Synthesis and Reactivity of Ruthenium Phosphite Indenylidene Complexes
Organometallics, 2012, 31, 7415-7426
DOI: 10.1021/om300703p

Marina Lamberti, George C. Fortman, Albert Poater, Julie Broggi, Alexandra M. Z. Slawin, Luigi Cavallo, Steven P. Nolan
Coordinatively Unsaturated Ruthenium Complexes As Efficient Alkyne–Azide Cycloaddition Catalysts
Organometallics, 2012, 31, 756-767
DOI: 10.1021/om2012425

Thomas Rünzi, Ulrich Tritschler, Philipp Roesle, Inigo Göttker-Schnetmann, Heiko M. Möller, Lucia Caporaso, Albert Poater, Luigi Cavallo, Stefan Mecking
Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts
Organometallics, 2012, 31, 8388-8406
DOI: 10.1021/om300969d

Alexander A. Voityuk
Electronic coupling for charge transfer in donor–bridge–acceptor systems. Performance of the two-state FCD model
Phys. Chem. Chem. Phys., 2012, 14, 13789-13793
DOI: 10.1039/c2cp40579b

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

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

Carles Curutchet, Alexander A. Voityuk
Triplet-Triplet Energy Transfer in DNA: A Process that Occurs on the Nanosecond Timescale
Angew. Chem. Int. Ed., 2011, 50, 1820-1822
DOI: 10.1002/anie.201004732

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