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Milan Remko, Marcel Swart, F. Matthias Bickelhaupt
Theoretical study of structure, pKa, lipophilicity, solubility, absorption, and polar surface area of some centrally acting antihypertensives
Bioorganic & Medicinal Chemistry, 2006, 14, 1715-1728
DOI: 10.1016/j.bmc.2005.10.020

Xavier Sala, Elena Plantalech, Isabel Romero, Montserrat Rodríguez, Antoni Llobet, Albert Poater, Miquel Duran, Miquel Solà, Susanna Jansat, Montserrat Gómez, Teodor Parella, Helen Stoeckli-Evans, Jordi Benet-Buchholz
Atropisomeric Discrimination in New RuII Complexes Containing theC2-Symmetric Didentate Chiral Phenyl-1,2-bisoxazolinic Ligand
Chem-Eur J., 2006, 12, 2798-2807
DOI: 10.1002/chem.200500796

Jordi Poater, Miquel Solà, F. Matthias Bickelhaupt
HydrogenHydrogen Bonding in Planar Biphenyl, Predicted by Atoms-In-Molecules Theory, Does Not Exist
Chem-Eur J., 2006, 12, 2889-2895
DOI: 10.1002/chem.200500850

Jordi Poater, Miquel Solà, F. Matthias Bickelhaupt
A Model of the Chemical Bond Must Be Rooted in Quantum Mechanics, Provide Insight, and Possess Predictive Power
Chem-Eur J., 2006, 12, 2902-2905
DOI: 10.1002/chem.200600057

Anna Roglans, Anna Pla-Quintana, Marcial Moreno-Mañas
Diazonium Salts as Substrates in Palladium-Catalyzed Cross-Coupling Reactions
Chem. Rev., 2006, 106, 4622-4643
DOI: 10.1021/cr0509861

Tanja A. Schüttrigkeit, Tillvon Feilitzsch, Christian K. Kompa, Konstantin A. Lukyanov, Alexander P. Savitsky, Alexander A. Voityuk, Maria E. Michel-Beyerle
Femtosecond study of light-induced fluorescence increase of the dark chromoprotein asFP595
Chemical Physics, 2006, 323, 149-160
DOI: 10.1016/j.chemphys.2005.09.039

Eduard Matito, Jacek Kobus, Jacek Styszyński
Bond centred functions in relativistic and non-relativistic calculations for diatomics
Chemical Physics, 2006, 321, 277-284
DOI: 10.1016/j.chemphys.2005.08.023

Janusz Rak, Joanna Makowska, Alexander A. Voityuk
Effect of proton transfer on the electronic coupling in DNA
Chemical Physics, 2006, 325, 567-574
DOI: 10.1016/j.chemphys.2006.02.002

Alexander A. Voityuk
Donor–acceptor electronic couplings in π-stacks: How many states must be accounted for?
Chemical Physics Letters, 2006, 422, 15-19
DOI: 10.1016/j.cplett.2006.02.032

Alexander A. Voityuk
Assessment of semiempirical methods for the computation of charge transfer in DNA π-stacks
Chemical Physics Letters, 2006, 427, 177-180
DOI: 10.1016/j.cplett.2006.06.101

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