## Abstract We present a systematic density functional investigation on the prediction of the ^13^C, ^15^N, ^17^O, and ^19^F NMR properties of 23 molecules with 21 density functionals. Extensive comparisons are made for both ^13^C magnetic shieldings and chemical shifts with respect to the gas phas
[Chemical Modelling] Chemical Modelling Volume 9 || On choosing the best density functional approximation
β Scribed by Springborg, Michael
- Book ID
- 120348559
- Publisher
- Royal Society of Chemistry
- Year
- 2012
- Weight
- 848 KB
- Category
- Article
- ISBN
- 1849734127
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