Identification and Conformational Study of Stable Radiation-Induced Defects in Sucrose Single Crystals using Density Functional Theory Calculations of Electron Magnetic Resonance Parameters

2008 ◽  
Vol 112 (24) ◽  
pp. 7298-7307 ◽  
Author(s):  
H. De Cooman ◽  
E. Pauwels ◽  
H. Vrielinck ◽  
E. Sagstuen ◽  
F. Callens ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Magnetic Resonance ◽  
Single Crystals ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Conformational Study ◽  
Functional Theory ◽  
Magnetic Resonance Parameters ◽  
Radiation Induced ◽  
Induced Defects

scholarly journals Conformational study of erythritol and threitol in the gas state by density functional theory calculations

2005 ◽  
Vol 340 (2) ◽  
pp. 283-291 ◽  
Author(s):  
António J. Lopes Jesus ◽  
Luciana I.N. Tomé ◽  
Mário Túlio S. Rosado ◽  
M. Luísa P. Leitão ◽  
José S. Redinha
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Conformational Study ◽  
Functional Theory
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