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Results: 874

Beatriz M. Illescas, Nazario Martín, Jordi Poater, Miquel Solà, Gemma P. Aguado, Rosa M. Ortuño
Diastereoselective Synthesis of Fulleropyrrolidines from Suitably Functionalized Chiral Cyclobutanes
J. Org. Chem., 2005, 70, 6929-6932
DOI: 10.1021/jo0509197

Jordi Poater, Josep M. Bofill, Pere Alemany, Miquel Solà
Local Aromaticity of the Lowest-Lying Singlet States of [n]Acenes (n = 6−9)
J. Phys. Chem. A, 2005, 109, 10629-10632
DOI: 10.1021/jp055188t

Miquel Torrent-Sucarrat, Miquel Duran, Josep M. Luis, Miquel Solà
Generalizing the Breakdown of the Maximum Hardness and Minimum Polarizabilities Principles for Nontotally Symmetric Vibrations to Non–Conjugated Organic Molecules
J. Phys. Chem. A, 2005, 109, 615-621
DOI: 10.1021/jp0470804

Eduard Matito, Jordi Poater, Miquel Solà, Miquel Duran, Pedro Salvador
Comparison of the AIM Delocalization Index and the Mayer and Fuzzy Atom Bond Orders
J. Phys. Chem. A, 2005, 109, 9904-9910
DOI: 10.1021/jp0538464

Alexander A. Voityuk
Are Radical Cation States Delocalized over GG and GGG Hole Traps in DNA?
J. Phys. Chem. B, 2005, 109, 10793-10796
DOI: 10.1021/jp050985c

Alexander A. Voityuk
Electronic Couplings in DNA π-Stacks:  Multistate Effects
J. Phys. Chem. B, 2005, 109, 17917-17921
DOI: 10.1021/jp052783m

Eduard Matito, Miquel Solà, Miquel Duran, Jordi Poater
Comment on the Nature of Bonding in the Thermal Cyclization of (Z)-1,2,4,6-Heptatetraene and Its Heterosubstituted Analogues
J. Phys. Chem. B, 2005, 109, 7591-7593
DOI: 10.1021/jp048033e

Guillem Portella, Jordi Poater, Miquel Solà
Assessment of Clar’s aromatic π‐sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity
J. Phys. Org. Chem., 2005, 18, 785-791
DOI: 10.1002/poc.938

Miquel Torrent-Sucarrat, Josep M. Luis, Miquel Duran, Miquel Solà
An assessment of a simple hardness kernel approximation for the calculation of the global hardness in a series of Lewis acids and bases
Journal of Molecular Structure: THEOCHEM, 2005, 727, 139-148
DOI: 10.1016/j.theochem.2005.02.018

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