02799nam 2200613 a 450 991081407300332120200520144314.0978661333196097812833319681283331969978111800871311180087159781118008720111800872397811180087061118008707(CKB)2550000000064125(EBL)697503(SSID)ssj0000611552(PQKBManifestationID)12226703(PQKBTitleCode)TC0000611552(PQKBWorkID)10646757(PQKB)11737516(MiAaPQ)EBC697503(OCoLC)764498836(Perlego)1010999(EXLCZ)99255000000006412520101007d2012 uy 0engur|n|---|||||txtccrComputational strategies for spectroscopy from small molecules to nano systems /edited by Vincenzo Barone1st ed.Hoboken, N.J. Wileyc20121 online resource (594 p.)Bibliographic Level Mode of Issuance: Monograph9780470470176 0470470178 Includes bibliographical references and index.pt. 1. Electronic and spin states -- pt. 2A. Effects related to nuclear motions : time-independent models -- pt. 2B. Effects related to nuclear motions : time-dependent models.Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects. This book is devoted to the most significant methodological contributions in the field, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters with reference to the underlying vibronic and environmental effects. Each section starts with a chapter written by an experimental spectroscopist dealing with present challenges in the different fields; comprehensive coverage of conventional and advanced spectroscopic techniques is provided by means of dedicated chapters written by experts. Computational chemists, analytical chemists and spectroscopists, physicists, materials scientists, and graduate students will benefit from this thorough resource. Spectrum analysisData processingSpectrum analysisData processing.543/.50285Barone VincenzoDr.358846MiAaPQMiAaPQMiAaPQBOOK9910814073003321Computational strategies for spectroscopy3958694UNINA