Benchmarking Hydrogen and Carbon NMR Chemical Shifts at HF,...

Journal of Chemical Theory and Computation 2014 / 02 Vol. 10; Iss. 2

Benchmarking Hydrogen and Carbon NMR Chemical Shifts at HF, DFT, and MP2 Levels

Flaig, Denis, Maurer, Marina, Hanni, Matti, Braunger, Katharina, Kick, Leonhard, Thubauville, Matthias, Ochsenfeld, Christian
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Volume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct400780f
Date:
February, 2014
File:
PDF, 796 KB
english, 2014
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