{"id":59,"date":"2017-10-06T12:27:25","date_gmt":"2017-10-06T16:27:25","guid":{"rendered":"http:\/\/chem.sites.mtu.edu\/valenzano\/?page_id=59"},"modified":"2017-10-07T16:45:43","modified_gmt":"2017-10-07T20:45:43","slug":"2002-2009","status":"publish","type":"page","link":"https:\/\/chem.sites.mtu.edu\/valenzano\/publications\/2002-2009\/","title":{"rendered":"2002-2009"},"content":{"rendered":"

Publications prior to Michigan Tech<\/strong><\/h3>\n

 <\/p>\n

Valenzano<\/u>, F. Pascale, M. Ferrero, R. Dovesi, <\/span>Ab initio quantum-mechanical prediction of the IR and Raman spectra of Ca3<\/sub>Cr2<\/sub>Si3<\/sub>O12<\/sub> Uvarovite garnet<\/em>, 2010, <\/span>Int. J. Quantum Chem.<\/em>, <\/span>117<\/strong>, 416-421<\/span><\/p>\n

Meyer, M. Ferrero, L. Valenzano<\/u>, 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<\/em>, 2010, AIP Conference Proceedings<\/em>, ICCMSE 2009<\/p>\n

Dovesi, L. Valenzano<\/u>, F. Pascale, R. Orlando, The ab initio quantum-mechanical simulation of the RAMAN spectrum of Grossular<\/em>, 2009, J. Raman Spec.<\/em>, 40<\/strong>, 416-418<\/p>\n

L. Valenzano<\/u>, A. Meyer, R. Demichelis, B. Civalleri, R. Dovesi, Quantum-mechanical ab initio simulation of the Raman and IR spectra of Mn3<\/sub>Al2<\/sub>Si3<\/sub>O12<\/sub> Spessartine<\/em>, 2009, Phys. Chem. Min.<\/em>, 36<\/strong>, 415-420<\/p>\n

M. Ferrari, L. Valenzano<\/u>, A. Meyer, R. Orlando, R. Dovesi, Quantum-mechanical Ab initio simulation of the Raman and IR spectra of Fe3<\/sub>Al2<\/sub>Si3<\/sub>O12<\/sub> Almandine<\/em>, 2009, J. Phys. Chem. A<\/em>, 113<\/strong>, 11289-11294<\/p>\n

Civalleri, C.M. Zicovich-Wilson, L. Valenzano<\/u>, P. Ugliengo, B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals<\/em>, 2008, CrystEngComm<\/em>, 10<\/strong>, 405-410<\/p>\n

M. Zicovich-Wilson, F.J. Torres, F. Pascale, L. Valenzano<\/u>, R. Orlando, R. Dovesi, Ab initio simulation of the IR spectra of Pyrope, Grossular, and Andradite<\/em>, 2008, J. Comp. Chem.<\/em>, 29<\/strong>, 2268-2278<\/p>\n

Demichelis, Y. Noel, C.M. Zicovich-Wilson, C. Roetti, L. Valenzano<\/u>, R. Dovesi, Ab initio quantum mechanical study of akdalaite (5 Al2<\/sub>O3<\/sub>,H2<\/sub>O): structure and vibrational spectrum<\/em>, 2008, J. Phys. Conference Series<\/em>, 117<\/strong>, 012013<\/p>\n

Valenzano<\/u>, Y. Noel, R. Orlando, C.M. Zicovich-Wilson, M. Ferrero, R. Dovesi, <\/span>Ab initio vibrational spectra and dielectric properties of carbonates: magnesite, calcite and dolomite<\/em>, 2007, <\/span>Theor. Chem. Acc.<\/em>, <\/span>117<\/strong>, 991-1000<\/span><\/p>\n

Valenzano<\/u>, 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<\/sub> calcite<\/em>, 2006, Z. Phys. Chem.<\/em>, 220<\/strong>, 893-912<\/p>\n

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

E. Moss, L. Valenzano<\/u>, Relativistic corrections for the vibration-rotation levels of the ground electronic state of the Hydrogen molecular cation H2<\/sub>+<\/sup><\/em>, 2003, Mol. Phys.<\/em>, 101<\/strong>, 2635-2646<\/p>\n

E. Moss, L. Valenzano<\/u>, The dipole polarizability of the Hydrogen molecular cation HD+ <\/sup>and its isotopomers<\/em>, 2002, Mol. Phys.<\/em>, 100<\/strong>, 1527-1535<\/p>\n

E. Moss, L. Valenzano<\/u>, Adiabatic and non-adiabatic corrections to properties of the Hydrogen molecular cation and its isotopomers: dissociation energies and bond lengths<\/em>, 2002, Mol. Phys<\/em>., 100<\/strong>, 649-654<\/p>\n","protected":false},"excerpt":{"rendered":"

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<\/p>\n","protected":false},"author":2,"featured_media":0,"parent":23,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-59","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages\/59","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/comments?post=59"}],"version-history":[{"count":5,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages\/59\/revisions"}],"predecessor-version":[{"id":197,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages\/59\/revisions\/197"}],"up":[{"embeddable":true,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages\/23"}],"wp:attachment":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/media?parent=59"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}