Química Física

2014

1. Analyzing the electric response of molecular conductors using "electron deformation" orbitals and occupied-virtual electron transfer

   Journal of Computational Chemistry, Vol. 35, Núm. 17, pp. 1261-1269

2. Anisotropic noble metal nanocrystal growth: The role of halides

   Chemistry of Materials, Vol. 26, Núm. 1, pp. 34-43

3. Charge distribution in Mn(salen) complexes

   International Journal of Quantum Chemistry, Vol. 114, Núm. 8, pp. 525-533

4. Combined DFT and experimental studies of C-C and C-X elimination reactions promoted by a chelating phosphine-alkene ligand: The key role of penta-coordinate PdII

   Dalton Transactions, Vol. 43, Núm. 29, pp. 11165-11179

5. Distribution and antioxidant efficiency of resveratrol in stripped corn oil emulsions

   Antioxidants, Vol. 3, Núm. 2, pp. 212-228

6. Effects of axial coordination on immobilized Mn(salen) catalysts

   Journal of Physical Chemistry A, Vol. 118, Núm. 45, pp. 10788-10796

7. Electronic effects of substituents on the stability of the iridanaphthalene compound [IrCp∗{C(OMe)CHC(o-C6H4)(Ph)}(PMe3)]PF6

   Dalton Transactions, Vol. 43, Núm. 46, pp. 17366-17374

8. Facile oxidative addition of aryl iodides to Gold(I) by ligand design: Bending turns on reactivity

   Journal of the American Chemical Society, Vol. 136, Núm. 42, pp. 14654-14657

9. Kinetic study of the formation of N-chloro compounds using N-chlorosuccinimide

   Journal of Physical Organic Chemistry, Vol. 27, Núm. 5, pp. 407-418

10. Mechanisms of syn -insertion of alkynes and allenes into gold-silicon bonds: A comprehensive experimental/theoretical study

    Journal of the American Chemical Society, Vol. 136, Núm. 29, pp. 10373-10382

11. Metallacycle-catalyzed SNAr reaction in water: Supramolecular inhibition by means of host-guest complexation

    Journal of Organic Chemistry, Vol. 79, Núm. 3, pp. 1265-1270

12. Principal component analysis of Mn(salen) catalysts

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 46, pp. 25364-25376