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Results: 472

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, Miquel Solà, F. Matthias Bickelhaupt
Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods
J. Comput. Chem., 2007, 28, 1551-1560
DOI: 10.1002/jcc.20653

F. Matthias Bickelhaupt, Miquel Solà, C. Fonseca Guerra
Covalentversus ionic bonding in alkalimetal fluoride oligomers
J. Comput. Chem., 2007, 28, 238-250
DOI: 10.1002/jcc.20547

Miquel Torrent-Sucarrat, Pedro Salvador, Paul Geerlings, Miquel Solà
On the quality of the hardness kernel and the Fukui function to evaluate the global hardness
J. Comput. Chem., 2007, 28, 574-583
DOI: 10.1002/jcc.20535

Jordi Poater, Ruud Visser, Miquel Solà, F. Matthias Bickelhaupt
Polycyclic Benzenoids: Why Kinked is More Stable than Straight
J. Org. Chem., 2007, 72, 1134-1142
DOI: 10.1021/jo061637p

Ferran Feixas, Eduard Matito, Jordi Poater, Miquel Solà
Aromaticity of Distorted Benzene Rings: Exploring the Validity of Different Indicators of Aromaticity
J. Phys. Chem. A, 2007, 111, 4513-4521
DOI: 10.1021/jp0703206


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