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Q52852603-0D516B88-AEF6-466E-8C87-1B7AE3EE0305
Q52852603-0D516B88-AEF6-466E-8C87-1B7AE3EE0305
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http://www.wikidata.org/entity/statement/Q52852603-0D516B88-AEF6-466E-8C87-1B7AE3EE0305
Benchmarking of density functionals for a soft but accurate prediction and assignment of (1) H and (13)C NMR chemical shifts in organic and biological molecules.
P2860
Q52852603-0D516B88-AEF6-466E-8C87-1B7AE3EE0305
BestRank
Statement
http://www.wikidata.org/entity/statement/Q52852603-0D516B88-AEF6-466E-8C87-1B7AE3EE0305
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wasDerivedFrom
5217b8ac6e9aa09e0eb22e1d12c7a3d1087b9328
P2860
Density Functional for Spectroscopy: No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States