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2020 ◽  
Vol 124 (33) ◽  
pp. 6714-6725
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I. L. Rusakova
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Ab Initio NMR Chemical Shift Calculations Using Fragment Molecular Orbitals

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Dong-Qing Wei ◽  
Xi-Jun Wang
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Molecular Orbitals ◽  
Nmr Chemical Shift ◽  
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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 ◽  
...  
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scholarly journals Structural analysis of flavonoids in solution through DFT 1H NMR chemical shift calculations: Epigallocatechin, Kaempferol and Quercetin

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Vol 676 ◽  
pp. 46-52 ◽  
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Leonardo A. De Souza ◽  
Wagner M.G. Tavares ◽  
Ana Paula M. Lopes ◽  
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