G. Valerio

Halogen Bonding in Fluoroalkylhalides:  A Quantum Chemical Study of Increasing Fluorine Substitution

G. Valerio, Guido Raos, Stefano V. Meille et al. · The Journal of Physical Chemistry A · 2000 · 197 citations

Engineering, Appropriate Donors, Computational Chemistry +16

Electronic, magnetic and crystal structure of Cr 2 O 3 by theoretical methods

M. Catti, Giovanni Sandrone, G. Valerio et al. · Journal of Physics and Chemistry of Solids · 1996 · 121 citations

Materials Science, Inorganic Chemistry, Crystal Structure +11

Calculation of²⁹Si and²⁷Al MAS NMR Chemical Shifts in Zeolite-β Using Density Functional Theory:  Correlation with Lattice Structure

G. Valerio, Annick Goursot, R. Vetrivel et al. · Journal of the American Chemical Society · 1998 · 76 citations

Engineering, Computational Chemistry, Chemistry +16

Local, Gradient-Corrected, and Hybrid Density Functional Calculations on Pd_<i>n</i> <b>Clusters for </b><b><i>n</i></b> = 1−6

G. Valerio, H. Toulhoat · The Journal of Physical Chemistry · 1996 · 72 citations

Cluster Science, Full Optimizations, Engineering +15

Density Functional Calculations of the ²⁹Si and ²⁷Al MAS NMR Spectra of the Zeolite Mazzite:  Analysis of Geometrical and Electronic Effects

G. Valerio, Annick Goursot · The Journal of Physical Chemistry B · 1998 · 34 citations

Engineering, Nmr Peak Separation, Magnetic Resonance +20