Results: 482
Albert Poater, Miquel Duran, Pablo Jaque, Alejandro Toro-Labbé, Miquel Solà
Molecular Structure and Bonding of Copper Cluster Monocarbonyls CunCO (n = 1−9)
J. Phys. Chem. B, 2006, 110, 6526-6536
DOI: 10.1021/jp054690a
Eduard Matito, Jordi Poater, F. Matthias Bickelhaupt, Miquel Solà
Bonding in Methylalkalimetals (CH3M)n (M = Li, Na, K; n = 1, 4). Agreement and Divergences between AIM and ELF Analyses
J. Phys. Chem. B, 2006, 110, 7189-7198
DOI: 10.1021/jp057517n
J. Oscar C. Jiménez-Halla, Eduard Matito, Juvencio Robles, Miquel Solà
Nucleus-independent chemical shift (NICS) profiles in a series of monocyclic planar inorganic compounds
Journal of Organometallic Chemistry, 2006, 691, 4359-4366
DOI: 10.1016/j.jorganchem.2006.01.038
Margarita Altable, Salvatore Filippone, Angel Martín-Domenech, Mireia Güell, Miquel Solà, Nazario Martín
Intramolecular Ene Reaction of 1,6-Fullerenynes: A New Synthesis of Allenes
Org. Lett., 2006, 8, 5959-5962
DOI: 10.1021/ol062353u
Nazario Martín, Margarita Altable, Salvatore Filippone, Angel Martín-Domenech, Albert Poater, Miquel Solà
Regioselective Intramolecular Pauson-Khand Reactions of C60: An Electrochemical Study and Theoretical Underpinning
Chem-Eur J., 2005, 11, 2716-2729
DOI: 10.1002/chem.200401200
Raül Xifra, Xavi Ribas, Antoni Llobet, Albert Poater, Miquel Duran, Miquel Solà, T. Daniel P. Stack, Jordi Benet-Buchholz, Bruno Donnadieu, José Mahía, Teodor Parella
Fine-Tuning the Electronic Properties of Highly Stable Organometallic CuIII Complexes Containing Monoanionic Macrocyclic Ligands
Chem-Eur J., 2005, 11, 5146-5156
DOI: 10.1002/chem.200500088
Miquel Torrent-Sucarrat, Josep M. Luis, Miquel Solà
The Breakdown of the Minimum Polarizability Principle in Vibrational Motions as an Indicator of the Most Aromatic Center
Chem-Eur J., 2005, 11, 6024-6031
DOI: 10.1002/chem.200500223
Jordi Poater, Miquel Duran, Miquel Solà, Bernard Silvi
Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches
Chem. Rev., 2005, 105, 3911-3947
DOI: 10.1021/cr030085x
Mireia Güell, Jordi Poater, Josep M. Luis, Otilia Mó, Manuel Yáñez, Miquel Solà
Aromaticity Analysis of Lithium Cation/ Complexes of Aromatic Systems
ChemPhysChem, 2005, 6, 2552-2561
DOI: 10.1002/cphc.200500216
Anbarasan Kalaiselvan, Ponnambalam Venuvanalingam, Jordi Poater, Miquel Solà
Ab initio and DFT modeling of stereoselective deamination of aziridines by nitrosyl chloride
Int. J. Quantum Chem., 2005, 102, 139-146
DOI: 10.1002/qua.20364