Computer simulation and density functional theory study on relationship between structure of amino acid and inhibition performance

2012 ◽  
Vol 16 (1) ◽  
pp. 67-72 ◽  
Author(s):  
P Hu ◽  
W Dai
Keyword(s):  
Density Functional Theory ◽  
Computer Simulation ◽  
Amino Acid ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Inhibition Performance

The mechanism of 2,4,6-trinitrotoluene detection with amino acid-capped quantum dots: a density functional theory study

RSC Advances ◽  
2015 ◽  
Vol 5 (60) ◽  
pp. 48406-48412 ◽  
Author(s):  
Zhaoyang Lou ◽  
Yingqi Cui ◽  
Mingli Yang ◽  
Jun Chen
Keyword(s):  
Density Functional Theory ◽  
Quantum Dots ◽  
Amino Acid ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

Both a Meisenheimer complex and deprotonated TNT are formed when TNT meets amino acid-capped quantum dots.

Toward Understanding Amino Acid Adsorption at Metallic Interfaces: A Density Functional Theory Study

2009 ◽  
Vol 1 (2) ◽  
pp. 388-392 ◽  
Author(s):  
Gongyi Hong ◽  
Hendrik Heinz ◽  
Rajesh R. Naik ◽  
Barry L. Farmer ◽  
Ruth Pachter
Keyword(s):  
Density Functional Theory ◽  
Amino Acid ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Metallic Interfaces
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