Assessment of the Accuracy of Theoretical Methods for Calculating27Al Nuclear Magnetic Resonance Shielding Tensors of Aquated Aluminum Species

2009 ◽  
Vol 113 (17) ◽  
pp. 5138-5143 ◽  
Author(s):  
Zhaosheng Qian ◽  
Hui Feng ◽  
Lina He ◽  
Wenjing Yang ◽  
Shuping Bi
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Theoretical Methods ◽  
Shielding Tensors ◽  
Nuclear Magnetic

Predicting9Be Nuclear Magnetic Resonance Chemical Shielding Tensors Utilizing Density Functional Theory

2004 ◽  
Vol 126 (44) ◽  
pp. 14651-14658 ◽  
Author(s):  
Paul G. Plieger ◽  
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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