Results: 483
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
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
Miquel Duran, Miquel Solà, Emili Besalú
Introduction
Journal of Molecular Structure: THEOCHEM, 2005, 727, XIII
DOI: 10.1016/j.theochem.2005.05.012
Gernot Frenking, Miquel Solà, Sergei F. Vyboishchikov
Chemical bonding in transition metal carbene complexes
Journal of Organometallic Chemistry, 2005, 690, 6178-6204
DOI: 10.1016/j.jorganchem.2005.08.054
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