Martine Castellà‐Ventura

<i>Ab Initio</i> Computations of the Geometrical, Electronic, and Vibrational Properties of the Ground State, the Anion Radical, and the <i>N</i>,<i>N‘</i>-Dihydro Cation Radical of 4,4‘-Bipyridine Compared to Transient Raman Spectra

L. Ould‐Moussa, O. Poizat, Martine Castellà‐Ventura et al. · The Journal of Physical Chemistry · 1996 · 71 citations

Comparative semiempirical and ab initio study of the harmonic vibrational frequencies of aniline—I. The ground state

Martine Castellà‐Ventura, E. Kassab · Spectrochimica Acta Part A Molecular Spectroscopy · 1994 · 68 citations

Physics, Natural Sciences, Spectroscopy +7

Vibrational analysis of some transient species implicated in the photoreduction of 4,4′-bipyridine based onab initio and density functional calculations

Martine Castellà‐Ventura, E. Kassab · Journal of Raman Spectroscopy · 1998 · 48 citations

Bond Dissociation Energy, Theoretical Inorganic Chemistry, Neutral Molecule 44Bpy +16

Structure of the anion radical of 2,2′-bipyridine in solution

Martine Castellà‐Ventura, E. Kassab, G. Buntinx et al. · Physical Chemistry Chemical Physics · 2000 · 46 citations

Engineering, Organic Chemistry, Computational Chemistry +16

Theoretical Study of Pyridine and 4,4‘-Bipyridine Adsorption on the Lewis Acid Sites of Alumina Surfaces Based on Ab Initio and Density Functional Cluster Calculations

E. Kassab, Martine Castellà‐Ventura · The Journal of Physical Chemistry B · 2005 · 31 citations

Engineering, Computational Chemistry, Chemistry +17