Duran M - Search Results

1

Quantum chemical study of the reactivity of C60HR and C60(CHR) derivatives.

Amat MC, Van Lier G, Solà M, Duran M, Geerlings P. Amat MC, et al. Among authors: duran m. J Org Chem. 2004 Apr 2;69(7):2374-80. doi: 10.1021/jo035652v. J Org Chem. 2004. PMID: 15049633

2

The delocalization index as an electronic aromaticity criterion: application to a series of planar polycyclic aromatic hydrocarbons.

Poater J, Fradera X, Duran M, Solà M. Poater J, et al. Among authors: duran m. Chemistry. 2003 Jan 20;9(2):400-6. doi: 10.1002/chem.200390041. Chemistry. 2003. PMID: 12532288

3

An insight into the local aromaticities of polycyclic aromatic hydrocarbons and fullerenes.

Poater J, Fradera X, Duran M, Solà M. Poater J, et al. Among authors: duran m. Chemistry. 2003 Mar 3;9(5):1113-22. doi: 10.1002/chem.200390128. Chemistry. 2003. PMID: 12596147

4

The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization.

Matito E, Duran M, Solà M. Matito E, et al. Among authors: duran m. J Chem Phys. 2005 Jan 1;122(1):14109. doi: 10.1063/1.1824895. J Chem Phys. 2005. PMID: 15638644

5

Aromaticity measures from fuzzy-atom bond orders (FBO). The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes.

Matito E, Salvador P, Duran M, Solà M. Matito E, et al. Among authors: duran m. J Phys Chem A. 2006 Apr 20;110(15):5108-13. doi: 10.1021/jp057387i. J Phys Chem A. 2006. PMID: 16610832

6

Comparison of the AIM delocalization index and the Mayer and fuzzy atom bond orders.

Matito E, Poater J, Solà M, Duran M, Salvador P. Matito E, et al. Among authors: duran m. J Phys Chem A. 2005 Nov 3;109(43):9904-10. doi: 10.1021/jp0538464. J Phys Chem A. 2005. PMID: 16833307

7

Generalizing the breakdown of the maximum hardness and minimum polarizabilities principles for nontotally symmetric vibrations to non-pi-conjugated organic molecules.

Torrent-Sucarrat M, Duran M, Luis JM, Solà M. Torrent-Sucarrat M, et al. Among authors: duran m. J Phys Chem A. 2005 Feb 3;109(4):615-21. doi: 10.1021/jp0470804. J Phys Chem A. 2005. PMID: 16833387

8

Is coronene better described by Clar's aromatic π-sextet model or by the AdNDP representation?

Kumar A, Duran M, Solà M. Kumar A, et al. Among authors: duran m. J Comput Chem. 2017 Jul 5;38(18):1606-1611. doi: 10.1002/jcc.24801. Epub 2017 Apr 10. J Comput Chem. 2017. PMID: 28394019

9

Tuning the Strength of the Resonance-Assisted Hydrogen Bond in Acenes and Phenacenes with Two o-Hydroxyaldehyde Groups-The Importance of Topology.

Pareras G, Szczepanik DW, Duran M, Solà M, Simon S. Pareras G, et al. Among authors: duran m. J Org Chem. 2019 Dec 6;84(23):15538-15548. doi: 10.1021/acs.joc.9b02526. Epub 2019 Nov 21. J Org Chem. 2019. PMID: 31693372

10

Mechanism of the addition reaction of alkyl azides to [60]fullerene and the subsequent N2 extrusion to form monoimino-[60]fullerenes.

Cases M, Duran M, Mestres J, Martín N, Solà M. Cases M, et al. Among authors: duran m. J Org Chem. 2001 Jan 26;66(2):433-42. doi: 10.1021/jo0010431. J Org Chem. 2001. PMID: 11429811

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