Influence of N–H…O and O–H…O hydrogen bonds on the 17O, 15N and 13C chemical shielding tensors in crystalline acetaminophen: A density functional theory study

2007 ◽  
Vol 128 (1) ◽  
pp. 38-45 ◽  
Author(s):  
Mehdi D. Esrafili ◽  
Hadi Behzadi ◽  
Nasser L. Hadipour
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonds ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Chemical Shielding ◽  
Functional Theory ◽  
Shielding Tensors

Hydrogen bonds in galactopyranoside and glucopyranoside: a density functional theory study

2012 ◽  
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Reza Behjatmanesh-Ardakani ◽  
Rauzah Hashim ◽  
Vijayan Manickam Achari
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonds ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

scholarly journals Density Functional Theory Study of the Cooperativity of Hydrogen Bonds in Finite and Infinite α-Helices

2003 ◽  
Vol 107 (35) ◽  
pp. 9616-9616 ◽  
Author(s):  
Joel Ireta ◽  
Jörg Neugebauer ◽  
Matthias Scheffler ◽  
Arturo Rojo ◽  
Marcelo Galván
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonds ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

Predicting9Be Nuclear Magnetic Resonance Chemical Shielding Tensors Utilizing Density Functional Theory

2004 ◽  
Vol 126 (44) ◽  
pp. 14651-14658 ◽  
Author(s):  
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Kevin D. John ◽  
Timothy S. Keizer ◽  
T. Mark McCleskey ◽  
Anthony K. Burrell ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Density Functional ◽  
Chemical Shielding ◽  
Functional Theory ◽  
Shielding Tensors ◽  
Nuclear Magnetic
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