Example: bachelor of science
Spartan Student Tutorials
molecules, to evaluate reaction thermochemistry and activation energetics and to obtain NMR and infrared spectra. Walking Through Spartan Student (Chapter 1) provides a “guided ... Chapter 1 5 Use the 3 key to toggle between stereo 3D and standard display.
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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