Computational Chemistry II

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These are additional computational activities...

WebMO 18.0

Computation of Thermodynamic Data

Calculation

optimize and vibrational frequency

Heat of Combustion

http://homepages.gac.edu/~anienow/CHE-371a/Labs/Heats%20of%20Formation.pdf

pKa

https://www.uow.edu.au/~adamt/Trevitt_Research/Links_files/pKa%20workshop%20slides.pdf


NMR Computations

https://en.wikipedia.org/wiki/Tetramethylsilane
https://en.wikipedia.org/wiki/Chemical_shift
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