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Results: 1751

Cristina Butchosa, Sílvia Simon, Alexander A. Voityuk
Conformational dependence of the electronic coupling for hole transfer between adenine and tryptophan
Computational and Theoretical Chemistry, 2011, 975, 38-41
DOI: 10.1016/j.comptc.2011.04.025

Mikael P. Johansson, Marcel Swart
Subtle effects control the polymerisation mechanism in α-diimine iron catalysts
Dalton Trans., 2011, 40, 8419-8428
DOI: 10.1039/C1DT10045A
Keywords: Homogeneous catalysis

Eugeni Roura, Brooke Humphrey, Kirk Klasing, Marcel Swart
Is the pig a good umami sensing model for humans? A comparative taste receptor study
Flavour Fragr. J., 2011, 26, 282-285
DOI: 10.1002/ffj.2057

Chantal Prat, Emili Besalú, Lluís Bañeras, Enriqueta Anticó
Multivariate analysis of volatile compounds detected by headspace solid-phase microextraction/gas chromatography: A tool for sensory classification of cork stoppers
Food Chemistry, 2011, 126, 1978-1984
DOI: 10.1016/j.foodchem.2010.12.057

Isabel Serrano, M. Isabel López, Íngrid Ferrer, Albert Poater, Teodor Parella, Xavier Fontrodona, Miquel Solà, Antoni Llobet, Montserrat Rodríguez, Isabel Romero
New Ru(II) Complexes Containing Oxazoline Ligands As Epoxidation Catalysts. Influence of the Substituents on the Catalytic Performance
Inorg. Chem., 2011, 50, 6044-6054
DOI: 10.1021/ic200053f

Marcel Swart, Piet TH. Van Duijnen
Atomic radii in molecules for use in a polarizable force field
Int. J. Quantum Chem., 2011, 111, 1763-1772
DOI: 10.1002/qua.22855

Martín Félix, Alexander A. Voityuk
DFT performance for the hole transfer parameters in DNA π stacks
Int. J. Quantum Chem., 2011, 111, 191-201
DOI: 10.1002/qua.22419

Bernard Kirtman, Josep M. Luis
On the contribution of mixed terms in response function treatment of vibrational nonlinear optical properties
Int. J. Quantum Chem., 2011, 111, 839-847
DOI: 10.1002/qua.22880

Luz Dary Mercado, Ramon Carbó-Dorca
Quantum similarity and discrete representation of molecular sets
J Math Chem, 2011, 49, 1558-1572
DOI: 10.1007/s10910-011-9841-4
Keywords: Molecular similarity

Ramon Carbó-Dorca
Quantum similarity, volume functions and generalized Carbó indices
J Math Chem, 2011, 49, 2109-2115
DOI: 10.1007/s10910-011-9878-4
Keywords: Molecular similarity