An inexpensive density functional theory ‐based protocol to predict accurate 19 F‐NMR chemical shifts

2021 ◽  
Author(s):  
Enrico Benassi
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Chemical Shifts ◽  
Functional Theory ◽  
Nmr Chemical Shifts ◽  
19 F Nmr

scholarly journals Correction: Fragment density functional theory calculation of NMR chemical shifts for proteins with implicit solvation

2015 ◽  
Vol 17 (18) ◽  
pp. 12367-12367
Author(s):  
Tong Zhu ◽  
Xiao He ◽  
John Z. H. Zhang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Chemical Shifts ◽  
Density Functional Theory Calculation ◽  
Chem Phys ◽  
Implicit Solvation ◽  
Functional Theory ◽  
Nmr Chemical Shifts ◽  
Theory Calculation ◽  
Phys Chem Chem Phys

Correction for ‘Fragment density functional theory calculation of NMR chemical shifts for proteins with implicit solvation’ by Tong Zhu et al., Phys. Chem. Chem. Phys., 2012, 14, 7837–7845.

scholarly journals Oxoperoxo Vanadium(V) Complexes ofl-Lactic Acid: Density Functional Theory Study of Structure and NMR Chemical Shifts

2008 ◽  
Vol 47 (16) ◽  
pp. 7317-7326 ◽  
Author(s):  
Licínia L. G. Justino ◽  
M. Luísa Ramos ◽  
Fernando Nogueira ◽  
Abilio J. F. N. Sobral ◽  
Carlos F. G. C. Geraldes ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Lactic Acid ◽  
Density Functional ◽  
Chemical Shifts ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Nmr Chemical Shifts
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