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Results: 1055

Sergei F. Vyboishchikov, Georgii I. Nikonov
Rhodium Silyl Hydrides in Oxidation State +5:  Classical or Nonclassical?^†
Organometallics, 2007, 26, 4160-4169
DOI: 10.1021/om070238x

Samat Tussupbayev, Sergei F. Vyboishchikov
DFT Study of Hydride Exchange in a Binuclear Ruthenium Complex
Organometallics, 2007, 26, 56-64
DOI: 10.1021/om060700y

Esther Badosa, Rafael Ferre, Marta Planas, Lidia Feliu, Emili Besalú, Jordi Cabrefiga, Eduard Bardají, Emilio Montesinos
A library of linear undecapeptides with bactericidal activity against phytopathogenic bacteria
Peptides, 2007, 28, 2276-2285
DOI: 10.1016/j.peptides.2007.09.010

Noel Ferro, Patrick Bultinck, Ana Gallegos, Hans-Jörg Jacobsen, Ramon Carbo-Dorca, Thomas Reinard
Unrevealed structural requirements for auxin-like molecules by theoretical and experimental evidences
Phytochemistry, 2007, 68, 237-250
DOI: 10.1016/j.phytochem.2006.10.006
OpenAccess: –
Keywords: Molecular similarity

Ferran Feixas, J.O.C. Jiménez-Halla, Eduard Matito, Jordi Poater, Miquel Solà
Is the Aromaticity of the Benzene Ring in the (η-C₆H₆)Cr(CO)₃ Complex Larger than that of the Isolated Benzene Molecule?
Pol. J. Chem., 2007, 81, 783-797
DOI: No link available

Ramon Carbó-Dorca
About the prediction of molecular properties using the fundamental Quantum QSPR (QQSPR) equation†
SAR and QSAR in Environmental Research, 2007, 18, 265-284
DOI: 10.1080/10629360701304113
OpenAccess: –
Keywords: Molecular similarity

Mercedes Alonso, Jordi Poater, Miquel Solà
Aromaticity changes along the reaction coordinate connecting the cyclobutadiene dimer to cubane and the benzene dimer to hexaprismane
Struct Chem, 2007, 18, 773-783
DOI: 10.1007/s11224-007-9240-4

Patrick Bultinck, Stijn Fias, Christian Van Alsenoy, PaulW. Ayers, Ramon Carbó-Dorca
Critical thoughts on computing atom condensed Fukui functions
The Journal of Chemical Physics, 2007, 127, 034102-
DOI: 10.1063/1.2749518
OpenAccess: –
Keywords: Molecular similarity

Josep M. Luis, Miquel Torrent-Sucarrat, Ove Christiansen, Bernard Kirtman
Variational calculation of static and dynamic vibrational nonlinear optical properties
The Journal of Chemical Physics, 2007, 127, 084118-
DOI: 10.1063/1.2770709
OpenAccess: Link
Keywords: Ab initio theory, Computational chemistry, Method development, Nonlinear optical properties

Patrick Bultinck, Christian Van Alsenoy, PaulW. Ayers, Ramon Carbó-Dorca
Critical analysis and extension of the Hirshfeld atoms in molecules
The Journal of Chemical Physics, 2007, 126, 144111-
DOI: 10.1063/1.2715563
OpenAccess: –
Keywords: Molecular similarity