Back to Search Start Over

Systematic study of locally dense basis sets for NMR shielding constants

Authors :
Reid, David M
Kobayashi, Rika
Collins, Michael
Reid, David M
Kobayashi, Rika
Collins, Michael
Source :
Journal of Chemical Theory and Computation (JCTC)
Publication Year :
2014

Abstract

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.

Details

Database :
OAIster
Journal :
Journal of Chemical Theory and Computation (JCTC)
Publication Type :
Electronic Resource
Accession number :
edsoai.on1291788226
Document Type :
Electronic Resource