Results: 846
Nick Sablon, Frank De Proft, Miquel Solà, Paul Geerlings
The linear response kernel of conceptual DFT as a measure of aromaticity
Phys. Chem. Chem. Phys., 2012, 14, 3960-3967
DOI: 10.1039/c2cp23372j
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
Anna Dachs, Anna Pla-Quintana, Teodor Parella, Miquel Solà, Anna Roglans
Intramolecular [2+2+2] Cycloaddition Reactions of Yne-ene-yne and Yne-yne-ene Enediynes Catalysed by RhI: Experimental and Theoretical Mechanistic Studies
Chem-Eur J., 2011, 17, 14493-14507
DOI: 10.1002/chem.201102210
Anna Company, Irene Prat, Jonathan R. Frisch, Ruben Mas-Ballesté, Mireia Güell, Gergely Juhász, Xavi Ribas, Eckard Münck, Josep M. Luis, Lawrence Que, Miquel Costas
Modeling the cis-Oxo-Labile Binding Site Motif of Non-Heme Iron Oxygenases: Water Exchange and Oxidation Reactivity of a Non-Heme Iron(IV)-Oxo Compound Bearing a Tripodal Tetradentate Ligand
Chem-Eur J., 2011, 17, 1622-1634
DOI: 10.1002/chem.201002297
Jordi Poater, Miquel Solà
Open-shell spherical aromaticity: the 2N2 + 2N + 1 (with S = N + ) rule
Chem. Commun., 2011, 47, 11647-11649
DOI: 10.1039/c1cc14958j
Sophia A. Solomon, F. Matthias Bickelhaupt, Richard A. Layfield, Mathias Nilsson, Jordi Poater, Miquel Solà
A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory
Chem. Commun., 2011, 47, 6162-6164
DOI: 10.1039/c1cc11697e
Carles Curutchet, Alexander A. Voityuk
Environment effects on triplet–triplet energy transfer in DNA
Chemical Physics Letters, 2011, 512, 118-122
DOI: 10.1016/j.cplett.2011.07.025
Yevhen Horbatenko, Sergei F. Vyboishchikov
Hydrogen Motion in Proton Sponge Cations: A Theoretical Study
ChemPhysChem, 2011, 12, 1118-1129
DOI: 10.1002/cphc.201000721