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Results: 1149

Marcin Palusiak, Sílvia Simon, Miquel Solà
The proton transfer reaction in malonaldehyde derivatives: Substituent effects and quasi-aromaticity of the proton bridge
Chemical Physics, 2007, 342, 43-54
DOI: 10.1016/j.chemphys.2007.09.016

Alexander A. Voityuk
Fluctuation of the electronic coupling in DNA: Multistate versus two-state model
Chemical Physics Letters, 2007, 439, 162-165
DOI: 10.1016/j.cplett.2007.03.066

Miquel Torrent-Sucarrat, Paul Geerlings, Josep M. Luis
Imaginary Vibrational Modes in Polycyclic Aromatic Hydrocarbons: A Challenging Test for the Hardness Profiles
ChemPhysChem, 2007, 8, 1065-1070
DOI: 10.1002/cphc.200700011
Keywords: Ab initio theory, Aromaticity, Computational chemistry, Density Functional Theory

Marc A. van Bochove, Marcel Swart, F. Matthias Bickelhaupt
Nucleophilic Substitution at Phosphorus Centers (SN2@P)
ChemPhysChem, 2007, 8, 2452-2463
DOI: 10.1002/cphc.200700488

Eduard Matito, Miquel Solà, Pedro Salvador, Miquel Duran
Electron sharing indexes at the correlated level. Application to aromaticity calculations
Faraday Discuss., 2007, 135, 325-345
DOI: 10.1039/b605086g

F. Matthias Bickelhaupt, Miquel Solà, Célia Fonseca Guerra
Highly polar bonds and the meaning of covalency and ionicity?structure and bonding of alkali metal hydride oligomers
Faraday Discuss., 2007, 135, 451-468
DOI: 10.1039/b606093e

Joaquim Mola, Isabel Romero, Montserrat Rodríguez, Fernando Bozoglian, Albert Poater, Miquel Solà, Teodor Parella, Jordi Benet-Buchholz, Xavier Fontrodona, Antoni Llobet
Mechanistic Insights into the Chemistry of Ru(II) Complexes Containing Cl and DMSO Ligands
Inorg. Chem., 2007, 46, 10707-10716
DOI: 10.1021/ic701421w

Anna Company, Laura Gómez, Rubén Mas-Ballesté, Ivan V. Korendovych, Xavi Ribas, Albert Poater, Teodor Parella, Xavier Fontrodona, Jordi Benet-Buchholz, Miquel Solà, Lawrence Que,, Elena V. Rybak-Akimova, Miquel Costas
Fast O2 Binding at Dicopper Complexes Containing Schiff-Base Dinucleating Ligands
Inorg. Chem., 2007, 46, 4997-5012
DOI: 10.1021/ic0701108

F. Matthias Bickelhaupt, Miquel Solà, Célia Fonseca Guerra
Table Salt and Other Alkali Metal Chloride Oligomers: Structure, Stability, and Bonding
Inorg. Chem., 2007, 46, 5411-5418
DOI: 10.1021/ic070328u

Marcel Swart
Metalligand bonding in metallocenes: Differentiation between spin state, electrostatic and covalent bonding
Inorganica Chimica Acta, 2007, 360, 179-189
DOI: 10.1016/j.ica.2006.07.073
Keywords: Spin states

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