Spartan Student Tutorials
ii Getting Started The tutorials in Spectra, Properties, and Graphical Models of Organic Molecules from the Database (Chapter 4) and Spectra, Properties and Graphical Models from Quantum Chemical Calculations (Chapter 5) make use of the same molecules built or sketched in the previous chapters, but now the focus is on obtaining
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WA VEFUNCTION
downloads.wavefun.comHartree-Fock, B3LYP, EDF2 and MP2 models) and NMR spectra9 (B3LYP/6-31G* and EDF2/6-31G* models only). These are available both as numerical data (vibrational frequencies, chemical shifts) as well as spectral plots. Experimental spectra may be read into Spartan Student. In addition, internet access to experimental IR and NMR
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