Molecular Dynamics Simulation and Density Functional Theory Study of Chemisorption of Propranolol Optical Isomers on a Uracil-modified Carbon Paste Electrode

2017 ◽  
Vol 64 (9) ◽  
pp. 1058-1064 ◽  
Author(s):  
Edward M. Khamitov ◽  
Regina Kh. Shayakhmetova ◽  
Artem V. Sidelnikov ◽  
Valery N. Maistrenko
Keyword(s):  
Molecular Dynamics ◽  
Density Functional Theory ◽  
Density Functional ◽  
Dynamics Simulation ◽  
Modified Carbon Paste Electrode ◽  
Optical Isomers ◽  
Density Functional Theory Study ◽  
Carbon Paste ◽  
Functional Theory ◽  
Paste Electrode

Density Functional Theory and Molecular Dynamics Simulation of Poly(dimethylsiloxane) Melts near Silica Surfaces

2005 ◽  
Vol 38 (20) ◽  
pp. 8562-8573 ◽  
Author(s):  
Shyamal K. Nath ◽  
Amalie L. Frischknecht ◽  
John G. Curro ◽  
John D. McCoy
Keyword(s):  
Molecular Dynamics ◽  
Density Functional Theory ◽  
Molecular Dynamics Simulation ◽  
Density Functional ◽  
Dynamics Simulation ◽  
Functional Theory ◽  
Silica Surfaces
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