J. Phys. Chem. A, 115, 12124, 2011
C. Trujillo, G. Sánchez-Sanz , I. Alkorta and J. Elguero.
Simultaneous Interactions of Anions and Cations with Cyclohexane and Adamantane: Aliphatic Cyclic Hydrocarbons as Charge Insulators.
C. Trujillo, G. Sánchez-Sanz , I. Alkorta and J. Elguero.
Simultaneous Interactions of Anions and Cations with Cyclohexane and Adamantane: Aliphatic Cyclic Hydrocarbons as Charge Insulators.
DOI: 10.1016/j.comptc.2011.04.008
I. Alkorta, C. Trujillo, J. Elguero and M. Solimannejad
A theoretical study of the hydrogen bonding properties of H2B=NH2: Some considerations on the basis set superposition error issue
I. Corral, C. Trujillo, Jean Yves Salpin and M. Yáñez
“Ca2+ reactivity in the gas phase. Bonding, catalytic effects and coulomb explosions, Kinetics and Dynamics: from Nano- to Bio-Scale,” in Challenges and Advances in Computational Chemistry and Physics, Ed A. Dybala-Defratyka and P. Paneth, 2009.
C. Trujillo, O. Mó, M. Yáñez and B. Silvi
On the bonding of selenocyanates and isoselenocyanates and their protonated derivatives.
C. Trujillo, A. M. Lamsabhi, O. Mó, M. Yáñez and J.-Y. Salpin
Interaction of Ca2+ with uracil and its thio derivatives in the gas phase.
C. Trujillo, O. Mó and M. Yáñez
Why are selenouracils as basic as but stronger acids than uracil in the gas phase.
C. Trujillo, A. M. Lamsabhi, O. Mó and M. Yáñez
The importance of the oxidative character of doubly charged metal cations in binding neutral bases. (Urea-M)2+ and (Thiourea-M)2+ (M=Mg,Ca,Cu) complexes.
C. Trujillo, O. Mó and M. Yáñez,
Selenourea-Ca2+ reactions in gas phase. Similarities and dissimilarities with urea and thiourea.
C. Trujillo, O. Mó and M. Yáñez
A theoretical study of hydration effects on the prototropic tautomerism of selenouracils.
C. Trujillo, O. Mó, M. Yáñez, J-Y Salpin and J. Tortajada
Gas phase reactions between thiourea and Ca2+.News evidences for the formation of Ca(NH3)2+ and other doubly charged species.