13C NMR chemical shifts? A statistical analysis and empirical corrections at DFT (PBE/3z) level

Evgeniy Yu. Pankratyev, Artur R. Tulyabaev, Leonard M. Khalilov. 13C NMR chemical shifts? A statistical analysis and empirical corrections at DFT (PBE/3z) level. Journal of Computational Chemistry, 32(9):1993-1997, 2011. [doi]

Abstract

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