Lista de obras -

A multireference configuration interaction study of CuB and CuAl molecular constants and photoionization spectra

scientific article published on 01 September 2013

A product branching ratio controlled by vibrational adiabaticity and variational effects: Kinetics of the H + trans-N2H2 reactions

artículo científico publicado en 2012

A quantitative tool to establish magic number clusters, ε3, applied in small silicon clusters, Si2-11

artículo científico publicado en 2018

Comparative study of small boron, silicon and germanium clusters: B(m)Si(n) and B(m)Ge(n) (m + n = 2-4).

artículo científico publicado en 2015

Dehydrogenation of N2HX (X=2-4) by nitrogen atoms: thermochemical and kinetics.

artículo científico publicado en 2013

How to efficiently tune the biradicaloid nature of acenes by chemical doping with boron and nitrogen.

artículo científico publicado en 2017

Hydrogen abstraction from the hydrazine molecule by an oxygen atom.

artículo científico publicado en 2014

Identification of Magic Numbers in Homonuclear Clusters: The ε3 Stability Ranking Function

artículo científico publicado en 2019

Multireference study of ionic/covalent electronic states of MF (M = Be, Mg and Ca)

artículo científico publicado en 2020

On the importance of non-covalent interactions for porous membranes: unraveling the role of pore size

scientific article published on 01 August 2018

Singlet La and Lb Bands for N-Acenes (N = 2-7): A CASSCF/CASPT2 Study

artículo científico

Stability and Reactivity of Silicon Magic Numbers Doped with Aluminum and Phosphorus Atoms

scientific article published on 18 December 2018

Theoretical and experimental study for the biomimetic recognition of levothyroxine hormone on magnetic molecularly imprinted polymer.