Publications

DOI:10.1021/jp205300c

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.

DOI: 10.1021/ct800178x

C. Trujillo, O. Mó, M. Yáñez and B. Silvi

On the bonding of selenocyanates and isoselenocyanates and their protonated derivatives.

DOI: 10.1039/B810418B 

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.

DOI: 10.1002/cphc.200800215

C. Trujillo, O. Mó and M. Yáñez

Why are selenouracils as basic as but stronger acids than uracil in the gas phase.

DOI: 10.1039/B802907E 

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.

DOI: 10.1021/jp711927h

C. Trujillo, O. Mó and M. Yáñez,

Selenourea-Ca²⁺ reactions in gas phase. Similarities and dissimilarities with urea and thiourea.

DOI: 10.1039/B708045J 

C. Trujillo, O. Mó and M. Yáñez

A theoretical study of hydration effects on the prototropic tautomerism of selenouracils.

DOI: 10.1002/cphc.200700113

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.