Systematic study of locally dense basis sets for NMR shielding constants
This paper presents a systematic study of partitioning schemes for locally dense basis sets in the context of NMR shielding calculations. The partitionings explored were based exclusively on connectivity and utilized the basis sets from the pcS-n series.
|Collections||ANU Research Publications|
|Source:||Journal of Chemical Theory and Computation (JCTC)|
|01_Reid_Systematic_study_of_locally_2014.pdf||1.15 MB||Adobe PDF||Request a copy|