9 results on '"Martínez-Araya, Jorge I."'
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2. The effect of {O,N}=X⋯M={Ti,Zr,Hf} interactions on the sensitivity of C NO2 trigger bonds in FOX-7: Approach based on the QTAIM/EDA-NOCV analysis
3. Theoretical investigation of the effect of O⋯M={Ti,Zr,Hf} interactions on the sensitivity of energetic N-nitro compounds
4. Assessment of seventeen density functionals to estimate the global reactivity of C20 in the framework of the conceptual density functional theory
5. A combined QTAIM/IRI topological analysis of the effect of axial/equatorial positions of NH2 and CN substituents in the [(PY5Me2)MoO]+ complex
6. The antioxidant capacity of myricetin. A molecular electrostatic potential analysis based on DFT calculations
7. The importance of diffuse functions in basis sets to produce reliable 3D pictures of dual descriptor
8. Assessment of a set of twelve density functionals to estimate the global reactivity of myricetin through the Koopmans’ theorem
9. A theoretical assessment of antioxidant capacity of flavonoids by means of local hyper–softness
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