LEADER 02801nam  2200613 a 450 
001 9910814073003321
005 20251116164045.0
010   $a9786613331960
010   $a9781283331968
010   $a1283331969
010   $a9781118008713
010   $a1118008715
010   $a9781118008720
010   $a1118008723
010   $a9781118008706
010   $a1118008707
035   $a(CKB)2550000000064125
035   $a(EBL)697503
035   $a(SSID)ssj0000611552
035   $a(PQKBManifestationID)12226703
035   $a(PQKBTitleCode)TC0000611552
035   $a(PQKBWorkID)10646757
035   $a(PQKB)11737516
035   $a(MiAaPQ)EBC697503
035   $a(OCoLC)764498836
035   $a(Perlego)1010999
035   $a(EXLCZ)992550000000064125
100   $a20101007d2012      uy         0
101 0 $aeng
135   $aur|n|---|||||
181   $ctxt
182   $cc
183   $acr
200 00$aComputational strategies for spectroscopy $efrom small molecules to nano systems /$fedited by Vincenzo Barone
205   $a1st ed.
210   $aHoboken, N.J. $cWiley$dc2012
215   $a1 online resource (594 p.)
300   $aBibliographic Level Mode of Issuance: Monograph
311 08$a9780470470176 
311 08$a0470470178 
320   $aIncludes bibliographical references and index.
327   $apt. 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.
330 8 $aComputational 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. 
606   $aSpectrum analysis$xData processing
615  0$aSpectrum analysis$xData processing.
676   $a543/.50285
701   $aBarone$b Vincenzo$f1964-$0444095
801  0$bMiAaPQ
801  1$bMiAaPQ
801  2$bMiAaPQ
906   $aBOOK
912   $a9910814073003321
996   $aComputational strategies for spectroscopy$94472576
997   $aUNINA