Density functional theory study to functionalization of BC2N nanotubes with cysteine amino acid

2021 ◽  
Vol 27 (3) ◽  
Author(s):  
Xiuyun Zeng ◽  
A. Sarkar
Keyword(s):  
Density Functional Theory ◽  
Amino Acid ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Bc2n Nanotubes ◽  
Cysteine Amino Acid

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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