Results: 269
Eduard Matito, Jordi Poater, Miquel Duran, Miquel Solà
An analysis of the changes in aromaticity and planarity along the reaction path of the simplest DielsAlder reaction. Exploring the validity of different indicators of aromaticity
Journal of Molecular Structure: THEOCHEM, 2005, 727, 165-171
DOI: 10.1016/j.theochem.2005.02.020
Jordi Poater, Mariona Sodupe, Joan Bertran, Miquel Solà
Hydrogen bonding and aromaticity in the guaninecytosine base pair interacting with metal cations (M = Cu+, Ca2+ and Cu2+)
Molecular Physics, 2005, 103, 163-173
DOI: 10.1080/00268920512331316238
Jordi Poater, Miquel Duran, Miquel Solà
Analysis of electronic delocalization in buckminsterfullerene (C60)
Int. J. Quantum Chem., 2004, 98, 361-366
DOI: 10.1002/qua.20071
Tadeusz M. Krygowski, Krzysztof Ejsmont, Beata T. Stepień, MichałK. Cyrański, Jordi Poater, Miquel Solà
Relation between the Substituent Effect and Aromaticity
J. Org. Chem., 2004, 69, 6634-6640
DOI: 10.1021/jo0492113
Jordi Poater, Miquel Solà, Rosario G. Viglione, Riccardo Zanasi
Local Aromaticity of the Six-Membered Rings in Pyracylene. A Difficult Case for the NICS Indicator of Aromaticity
J. Org. Chem., 2004, 69, 7537-7542
DOI: 10.1021/jo048988t
Jordi Poater, Miquel Solà, A. Rimola, L. Rodríguez-Santiago, M. Sodupe
Ground and Low-Lying States of Cu2+−H2O. A Difficult Case for Density Functional Methods
J. Phys. Chem. A, 2004, 108, 6072-6078
DOI: 10.1021/jp0487657
Jordi Poater, Isidoro García-Cruz, Francesc Illas, Miquel Solà
Discrepancy between common local aromaticity measures in a series of carbazole derivativesPresented at the ESF Exploratory Workshop: New Perspectives on Aromaticity, Exeter, UK, July 5?9, 2003.
Phys. Chem. Chem. Phys., 2004, 6, 314-318
DOI: 10.1039/b309965b
Jordi Poater, Xavier Fradera, Miquel Duran, Miquel Solà
An Insight into the Local Aromaticities of Polycyclic Aromatic Hydrocarbons and Fullerenes
Chem-Eur J., 2003, 9, 1113-1122
DOI: 10.1002/chem.200390128
Jordi Poater, Xavier Fradera, Miquel Duran, Miquel Solà
The Delocalization Index as an Electronic Aromaticity Criterion: Application to a Series of Planar Polycyclic Aromatic Hydrocarbons
Chem-Eur J., 2003, 9, 400-406
DOI: 10.1002/chem.200390041
Jordi Poater, Montserrat Cases, Xavier Fradera, Miquel Duran, Miquel Solà
Electron pairing analysis of the Fischer-type chromiumcarbene complexes (CO)5CrC(X)R (X=H, OH, OCH3, NH2, NHCH3 and R=H, CH3, CHCH2, Ph, CCH )
Chemical Physics, 2003, 294, 129-139
DOI: 10.1016/j.chemphys.2003.07.001