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Results: 469

Ferran Feixas, Eduard Matito, Jordi Poater, Miquel Solà
On the performance of some aromaticity indices: A critical assessment using a test set
J. Comput. Chem., 2008, 29, 1543-1554
DOI: 10.1002/jcc.20914

J. Oscar C. Jiménez-Halla, Juvencio Robles, Miquel Solà
Coordination and Haptotropic Migration of Cr(CO)3 in Polycyclic Aromatic Hydrocarbons: The Effect of the Size and the Curvature of the Substrate
J. Phys. Chem. A, 2008, 112, 1202-1213
DOI: 10.1021/jp077553h

Ferran Feixas, Eduard Matito, Miquel Solà, Jordi Poater
Analysis of Hückels [4n + 2] Rule through Electronic Delocalization Measures
J. Phys. Chem. A, 2008, 112, 13231-13238
DOI: 10.1021/jp803745f

Mireia Güell, Josep M. Luis, Miquel Solà, Marcel Swart
Importance of the Basis Set for the Spin-State Energetics of Iron Complexes
J. Phys. Chem. A, 2008, 112, 6384-6391
DOI: 10.1021/jp803441m
Keywords: Spin states

J. Oscar C. Jiménez-Halla, Juvencio Robles, Miquel Solà
Coordination and Haptotropic Migration of Cr(CO)
J. Phys. Chem. A, 2008, 112, 7310-7310
DOI: 10.1021/jp805507t

J. Oscar C. Jiménez-Halla, Juvencio Robles, Miquel Solà
Intramolecular Haptotropic Rearrangements of the Tricarbonylchromium Complex in Small Polycyclic Aromatic Hydrocarbons
Organometallics, 2008, 27, 5230-5240
DOI: 10.1021/om800505j

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

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


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