Simulation of NMR chemical shifts in heterocycles: a method evaluation
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Title
Simulation of NMR chemical shifts in heterocycles: a method evaluation
Authors
Keywords
Chemical shift calculations, NMR simulation, DFT, Linear regression, Method evaluation
Journal
JOURNAL OF MOLECULAR MODELING
Volume 23, Issue 1, Pages -
Publisher
Springer Nature
Online
2016-12-17
DOI
10.1007/s00894-016-3172-0
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