2002-2009

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 1^st, 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