Effective excitation energies in 13C NMR chemical shift calculations

1976 ◽  
Vol 24 (1) ◽  
pp. 87-94 ◽  
Author(s):  
N.C Baird ◽  
K.C Teo
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Excitation Energies ◽  
Nmr Chemical Shift ◽  
Chemical Shift Calculations ◽  
Effective Excitation

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

scholarly journals Other compounds isolated from Simira glaziovii and the ¹H and 13C NMR chemical shift assignments of new 1-epi-castanopsol

Química Nova ◽  
2012 ◽  
Vol 35 (11) ◽  
pp. 2202-2204 ◽  
Author(s):  
Marcelo F. de Araújo ◽  
Raimundo Braz-Filho ◽  
Mário G. de Carvalho ◽  
Ivo J. Curcino Vieira
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Chemical Shift Assignments ◽  
Nmr Chemical Shift ◽  
Nmr Chemical Shift Assignments

scholarly journals An automated framework for NMR chemical shift calculations of small organic molecules

2018 ◽  
Vol 10 (1) ◽  
Author(s):  
Yasemin Yesiltepe ◽  
Jamie R. Nuñez ◽  
Sean M. Colby ◽  
Dennis G. Thomas ◽  
Mark I. Borkum ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Organic Molecules ◽  
Nmr Chemical Shift ◽  
Small Organic Molecules ◽  
Chemical Shift Calculations

scholarly journals Computer Simulation of 13C-NMR Chemical Shift of Cellulose Solid.

1996 ◽  
Vol 49 (12) ◽  
pp. T333-T338
Author(s):  
Ikuya Miyamoto ◽  
Masatoshi Saito ◽  
Takeshi Aoyagi ◽  
Hideo Toyoshima
Keyword(s):  
Computer Simulation ◽  
Chemical Shift ◽  
13C Nmr ◽  
Nmr Chemical Shift
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