Publications

More filters

Results: 322

Rafael Islas, Jordi Poater, Eduard Matito, Miquel Solà
Molecular structures of M2N22 (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithm
Phys. Chem. Chem. Phys., 2012, 14, 14850-14859
DOI: 10.1039/c2cp42210g

Jordi Poater, Miquel Solà
Open-shell spherical aromaticity: the 2N2 + 2N + 1 (with S = N + ) rule
Chem. Commun., 2011, 47, 11647-11649
DOI: 10.1039/c1cc14958j

Sophia A. Solomon, F. Matthias Bickelhaupt, Richard A. Layfield, Mathias Nilsson, Jordi Poater, Miquel Solà
A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory
Chem. Commun., 2011, 47, 6162-6164
DOI: 10.1039/c1cc11697e

Jordi Poater, Marcel Swart, Célia Fonseca Guerra, F. Matthias Bickelhaupt
Selectivity in DNA replication. Interplay of steric shape, hydrogen bonds, -stacking and solvent effects
Chem. Commun., 2011, 47, 7326-7328
DOI: 10.1039/c0cc04707d

Isabel Serrano, M. Isabel López, Íngrid Ferrer, Albert Poater, Teodor Parella, Xavier Fontrodona, Miquel Solà, Antoni Llobet, Montserrat Rodríguez, Isabel Romero
New Ru(II) Complexes Containing Oxazoline Ligands As Epoxidation Catalysts. Influence of the Substituents on the Catalytic Performance
Inorg. Chem., 2011, 50, 6044-6054
DOI: 10.1021/ic200053f

Halina Szatyłowicz, Tadeusz M. Krygowski, Marcin Palusiak, Jordi Poater, Miquel Solà
Routes of -Electron Delocalization in 4-Substituted-1,2-benzoquinones
J. Org. Chem., 2011, 76, 550-556
DOI: 10.1021/jo102065e

Majid El-Hamdi, William Tiznado, Jordi Poater, Miquel Solà
An Analysis of the Isomerization Energies of 1,2-/1,3-Diazacyclobutadiene, Pyrazole/Imidazole, and Pyridazine/Pyrimidine with the Turn-Upside-Down Approach
J. Org. Chem., 2011, 76, 8913-8921
DOI: 10.1021/jo201639k

Albert Rimola, Jorge Alí-Torres, Cristina Rodríguez-Rodríguez, Jordi Poater, Eduard Matito, Miquel Solà, Mariona Sodupe
Ab Initio Design of Chelating Ligands Relevant to Alzheimers Disease: Influence of Metalloaromaticity
J. Phys. Chem. A, 2011, 115, 12659-12666
DOI: 10.1021/jp203465h

Ferran Feixas, Eduard Matito, Jordi Poater, Miquel Solà
Understanding Conjugation and Hyperconjugation from Electronic Delocalization Measures
J. Phys. Chem. A, 2011, 115, 13104-13113
DOI: 10.1021/jp205152n

Carles Curutchet, Jordi Poater, Miquel Solà, José Elguero
Analysis of the Effects of N-Substituents on Some Aspects of the Aromaticity of Imidazoles and Pyrazoles
J. Phys. Chem. A, 2011, 115, 8571-8577
DOI: 10.1021/jp204263p