Results: 874
Alexander A. Voityuk
How to Switch the Direction of Photoinduced Charge Injection into DNA?
J. Phys. Chem. C, 2007, 111, 7207-7210
DOI: 10.1021/jp070228
Eduard Matito, Ferran Feixas, Miquel Solà
Electron delocalization and aromaticity measures within the Hckel molecular orbital method
Journal of Molecular Structure: THEOCHEM, 2007, 811, 3-11
DOI: 10.1016/j.theochem.2007.01.015
Carole Chevrin, Jean Le Bras, Anna Roglans, Dominique Harakat, Jacques Muzart
Substitution of allylic acetates with sodium para-toluenesulfinate in aqueous media using allylpalladium chloride dimer and a water-soluble ligand as the catalytic system; electrospray ionisation mass spectrometry analysis
New J. Chem., 2007, 31, 121-126
DOI: 10.1039/b613562e
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
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
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
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: 10.1063/1.2770709Keywords: Ab initio theory, Computational chemistry, Method development, Nonlinear optical properties
Adrià Gil, Sílvia Simon, Mariona Sodupe, Juan Bertran
Gas-phase proton-transport self-catalysed isomerisation of glutamine radical cation: The important role of the side-chain
Theor Chem Account, 2007, 118, 589-595
DOI: 10.1007/s00214-007-0342-2Keywords: Ab initio theory, Chemical bonding, Computational chemistry, Reaction mechanisms
Nazario Martín, Margarita Altable, Salvatore Filippone, Angel Martín-Domenech, Mireia Güell, Miquel Solà
Thermal [2+2] Intramolecular Cycloadditions of Fuller-1,6-enynes
Angew. Chem. Int. Ed., 2006, 45, 1439-1442
DOI: 10.1002/anie.200502404