| 1 |
On the nature of Parr functions to predict the most reactive sites along organic polar reactions
Chamorro E, Perez P, Domingo LR
Chemical Physics Letters, 582, 141, 2013 |
| 2 |
The triplet excited state of the bioactive compound thiabendazole. Characterization and suitability as reporter for cyclodextrin complexation
Bartovsky P, Domingo LR, Jornet D, Tormos R, Miranda MA
Chemical Physics Letters, 525-26, 166, 2012 |
| 3 |
DFT Study on the Cycloreversion of Thietane Radical Cations
Domingo LR, Perez-Ruiz R, Arguello JE, Miranda MA
Journal of Physical Chemistry A, 115(21), 5443, 2011 |
| 4 |
Invariance of electrophilicity of independent fragments. Application to intramolecular Diels-Alder reactions
Soto-Delgado J, Aizman A, Domingo LR, Contreras R
Chemical Physics Letters, 499(4-6), 272, 2010 |
| 5 |
Experimental and Theoretical (DFT) Characterization of the Excited States and N-Centered Radical Species Derived from 2-Aminobenzimidazole, the Core Substructure of a Family of Bioactive Compounds
Viudes V, Bartovsky P, Domingo LR, Tormos R, Miranda MA
Journal of Physical Chemistry B, 114(19), 6608, 2010 |
| 6 |
Experimental and Theoretical Studies on the Mechanism of Photochemical Hydrogen Transfer from 2-Aminobenzimidazole to n pi* and pi pi*Aromatic Ketones
Jornet D, Bartovsky P, Domingo LR, Tormos R, Miranda MA
Journal of Physical Chemistry B, 114(36), 11920, 2010 |
| 7 |
DFT Study on the Molecular Mechanism of the [4+2] Cycloaddition between Thiobenzophenone and Arylalkenes via Radical Cations
Domingo LR, Perez-Ruiz R, Arguello JE, Miranda MA
Journal of Physical Chemistry A, 113(19), 5718, 2009 |
| 8 |
An understanding of the electrophilic/nucleophilic behavior of electro-deficient 2,3-disubstituted 1,3-butadienes in polar Diels-Alder reactions. A density functional theory study
Domingo LR, Chamorro E, Perez P
Journal of Physical Chemistry A, 112(17), 4046, 2008 |
| 9 |
Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology
Polo V, Andres J, Berskit S, Domingo LR, Silvi B
Journal of Physical Chemistry A, 112(31), 7128, 2008 |
| 10 |
A comparative analysis of the electrophilicity of organic molecules between the computed IPs and EAs and the HOMO and LUMO energies
Domingo LR, Saez JA, Perez P
Chemical Physics Letters, 438(4-6), 341, 2007 |
