Publications prior to Michigan Tech


Valenzano, F. Pascale, M. Ferrero, R. Dovesi, Ab initio quantum-mechanical prediction of the IR and Raman spectra of Ca3Cr2Si3O12 Uvarovite garnet, 2010, Int. J. Quantum Chem., 117, 416-421

Meyer, M. Ferrero, L. Valenzano, C.M. Zicovich-Wilson, R. Orlando, R. Dovesi, Coupled Perturbed HF/KS calculation of the dielectric constant of crystalline systems. The case of six members of the garnet family, 2010, AIP Conference Proceedings, ICCMSE 2009

Dovesi, L. Valenzano, F. Pascale, R. Orlando, The ab initio quantum-mechanical simulation of the RAMAN spectrum of Grossular, 2009, J. Raman Spec., 40, 416-418

L. Valenzano, A. Meyer, R. Demichelis, B. Civalleri, R. Dovesi, Quantum-mechanical ab initio simulation of the Raman and IR spectra of Mn3Al2Si3O12 Spessartine, 2009, Phys. Chem. Min., 36, 415-420

M. Ferrari, L. Valenzano, A. Meyer, R. Orlando, R. Dovesi, Quantum-mechanical Ab initio simulation of the Raman and IR spectra of Fe3Al2Si3O12 Almandine, 2009, J. Phys. Chem. A, 113, 11289-11294

Civalleri, C.M. Zicovich-Wilson, L. Valenzano, P. Ugliengo, B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals, 2008, CrystEngComm, 10, 405-410

M. Zicovich-Wilson, F.J. Torres, F. Pascale, L. Valenzano, R. Orlando, R. Dovesi, Ab initio simulation of the IR spectra of Pyrope, Grossular, and Andradite, 2008, J. Comp. Chem., 29, 2268-2278

Demichelis, Y. Noel, C.M. Zicovich-Wilson, C. Roetti, L. Valenzano, R. Dovesi, Ab initio quantum mechanical study of akdalaite (5 Al2O3,H2O): structure and vibrational spectrum, 2008, J. Phys. Conference Series, 117, 012013

Valenzano, Y. Noel, R. Orlando, C.M. Zicovich-Wilson, M. Ferrero, R. Dovesi, Ab initio vibrational spectra and dielectric properties of carbonates: magnesite, calcite and dolomite, 2007, Theor. Chem. Acc., 117, 991-1000

Valenzano, F.J. Torres, K. Doll, F. Pascale, C.M. Zicovich-Wilson, R. Dovesi, Ab initio study of the vibrational spectrum and related properties of crystalline compounds; the case of CaCO3 calcite, 2006, Z. Phys. Chem., 220, 893-912

Valenzano, M.C. van Hemert, G.-J. Kroes, Photodissociation of the water dimer: Three-dimensional quantum dynamics studies on diabatic potential-energy surfaces, 2005, J. Chem. Phys., 123, 034303 – Note: this paper was selected for the August 1st, 2005 issue of ”Virtual Journal of Biological Physics Research” published by the American Physical Society and the American Institute of Physics

E. Moss, L. Valenzano, Relativistic corrections for the vibration-rotation levels of the ground electronic state of the Hydrogen molecular cation H2+, 2003, Mol. Phys., 101, 2635-2646

E. Moss, L. Valenzano, The dipole polarizability of the Hydrogen molecular cation HD+ and its isotopomers, 2002, Mol. Phys., 100, 1527-1535

E. Moss, L. Valenzano, Adiabatic and non-adiabatic corrections to properties of the Hydrogen molecular cation and its isotopomers: dissociation energies and bond lengths, 2002, Mol. Phys., 100, 649-654