A. Luna

A density functional study of the global potential energy surfaces of the [H,C,N,O] system in singlet and triplet states

Alexander M. Mebel, A. Luna, M. C. Lin et al. · The Journal of Chemical Physics · 1996 · 108 citations

Localized Excited State, Engineering, Organic Chemistry +17

Cu+ binding energies. Dramatic failure of the G2 method vs. good performance of the B3LYP approach

A. Luna, Manuel Alcamı́, Otília Mó et al. · Chemical Physics Letters · 2000 · 95 citations

Materials Science, Transition Metal Chalcogenides, Engineering +11

Modeling the Interactions between Peptide Functions and Cu(I): Formamide−Cu⁺Reactions in the Gas Phase

A. Luna, Badia Amekraz, Jeanine Tortajada et al. · Journal of the American Chemical Society · 1998 · 74 citations

Engineering, Peptide Science, Computational Chemistry +18

A theoretical study on the complexation of sp, sp2 and sp3 nitrogen-containing species by Cu+

A. Luna, Badia Amekraz, Jeanine Tortajada · Chemical Physics Letters · 1997 · 65 citations

Materials Science, Inorganic Chemistry, Theoretical Study +8

Reactions between Guanidine and Cu⁺in the Gas Phase. An Experimental and Theoretical Study

A. Luna, Badia Amekraz, J. P. Morizur et al. · The Journal of Physical Chemistry A · 1997 · 65 citations

Chemical Engineering, Nucleic Acid Chemistry, Theoretical Study +10