ChemInform Abstract: Ab initio Calculations of the NMR Chemical Shift

ChemInform ◽  
2010 ◽  
Vol 28 (22) ◽  
pp. no-no
Author(s):  
A. C. DE DIOS
Keyword(s):  
Chemical Shift ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Nmr Chemical Shift

Ab Initio NMR Chemical Shift Calculations Using Fragment Molecular Orbitals

2009 ◽  
Author(s):  
Satoshi Yokojima ◽  
Qi Gao ◽  
Shinichiro Nakamura ◽  
Dong-Qing Wei ◽  
Xi-Jun Wang
Keyword(s):  
Chemical Shift ◽  
Ab Initio ◽  
Molecular Orbitals ◽  
Nmr Chemical Shift ◽  
Chemical Shift Calculations

Ab initio study of halogenated diphenyl ethers. NMR chemical shift prediction

2000 ◽  
Vol 38 (12) ◽  
pp. 987-993 ◽  
Author(s):  
Jussi Eloranta ◽  
Jiwei Hu ◽  
Reijo Suontamo ◽  
Erkki Kolehmainen ◽  
Juha Knuutinen
Keyword(s):  
Chemical Shift ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Nmr Chemical Shift ◽  
Chemical Shift Prediction ◽  
Diphenyl Ethers
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