NMR prediction software

Edward T. Chainani (etch@ginto.chem.admu.edu.ph)
Fri, 24 Apr 1998 09:47:01 +0800 (PST)

Does anyone have any experience with NMR prediction software that use
semi-empirical methods like TNDO (=typed neglect of differential overlap)?

I'd like to know: How accurate are they? Do they properly account for
solvent effects?

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Edward T. Chainani Nuclear Magnetic Resonance Laboratory Manager

National Chemistry Instrumentation Center (NCIC)

Ateneo de Manila University phone: (632) 924-4601 loc. 2309
Loyola Heights, Quezon City e-mail: etch@ginto.chem.admu.edu.ph
Philippines
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