Artigo
High Cost-Effectiveness Ratio: GIAO-mPW1PW91/6-31G(d)//PM7 Scaling Factor for C-13 NMR Chemical Shifts Calculation
High Cost-Effectiveness Ratio: GIAO-mPW1PW91/6-31G(d)//PM7 Scaling Factor for C-13 NMR Chemical Shifts Calculation Abstract: In this paper, we present a GIAO-HDFT universal scaling factor and a linear regression comparative study, in which we intent to investigate the […]