AB-INITIO CALCULATIONS OF 31P NMR CHEMICAL SHIFTS OF SUBSTITUTED ARYL DIALKYL PHOSPHATES

2001 ◽  
Vol 170 (1) ◽  
pp. 233-246 ◽  
Author(s):  
Marcelo S. Pedrosa ◽  
João F. Cajaiba Da Silva
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
31P Nmr ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts

Ab initio calculations on zinc porphyrins complexed to amines: geometrical details and NMR chemical shifts

2000 ◽  
Vol 531 (1-3) ◽  
pp. 381-386 ◽  
Author(s):  
R.M Gomila ◽  
D Quiñonero ◽  
A Frontera ◽  
P Ballester ◽  
P.M Deyà
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts ◽  
Zinc Porphyrins

Investigation of solute–solvent interactions in phenol compounds: accurate ab initio calculations of solvent effects on 1H NMR chemical shifts

2013 ◽  
Vol 11 (42) ◽  
pp. 7400 ◽  
Author(s):  
Michael G. Siskos ◽  
Vassiliki G. Kontogianni ◽  
Constantinos G. Tsiafoulis ◽  
Andreas G. Tzakos ◽  
Ioannis P. Gerothanassis
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
1H Nmr ◽  
Solvent Effects ◽  
Chemical Shifts ◽  
Solvent Interactions ◽  
Phenol Compounds ◽  
Nmr Chemical Shifts

ChemInform Abstract: Ab Initio Calculations of NMR Chemical Shifts

ChemInform ◽  
2008 ◽  
Vol 39 (27) ◽  
Author(s):  
Leah B. Casabianca ◽  
Angel C. de Dios
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts
Sign in / Sign up

Export Citation Format

Share Document