A Density Functional Theory Study of the Hydrolysis Mechanism of Sulfachloropyridazine

2017 ◽  
Vol 5 (2) ◽  
pp. 46-62
Author(s):  
Yali Liu
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Hydrolysis Mechanism

The hydrolysis mechanism of polyglycolic acid under tensile mechanical loading: a density functional theory study

RSC Advances ◽  
2014 ◽  
Vol 4 (68) ◽  
pp. 35862-35867 ◽  
Author(s):  
Shin-Pon Ju ◽  
Wei-Chun Huang ◽  
Chien-Chia Chen
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Mechanical Loading ◽  
Density Functional ◽  
Experimental Studies ◽  
Polyglycolic Acid ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Hydrolysis Mechanism ◽  
The Density Functional Theory

The hydrolysis mechanisms of polyglycolic acid (PGA) under tensile mechanical loading were studied by the density functional theory (DFT) calculations for illustrating the enhancement of PGA hydrolysis by external mechanical loading found in previous experimental studies (Iran. Polym. J., 2008, 17(9), 691–701).

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