Stability behavior of antiretroviral drugs and their combinations. 7: Comparative degradation pathways of lamivudine and emtricitabine and explanation to their differential degradation behavior by density functional theory

2017 ◽  
Vol 142 ◽  
pp. 155-161 ◽  
Author(s):  
Moolchand Kurmi ◽  
Saranjit Singh
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Antiretroviral Drugs ◽  
Degradation Pathways ◽  
Degradation Behavior ◽  
Functional Theory ◽  
Stability Behavior ◽  
Differential Degradation

scholarly journals Photodegradation of Pentachlorophenol and Its Degradation Pathways Predicted Using Density Functional Theory

2003 ◽  
Vol 26 (11) ◽  
pp. 693-697
Author(s):  
Junya SUEGARA ◽  
Satoshi NAKAI ◽  
Maria P. ESPINO ◽  
Byung-Dae LEE ◽  
Youichi WATANABE ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Degradation Pathways ◽  
Functional Theory

Photodegradation of pentachlorophenol and its degradation pathways predicted using density functional theory

Chemosphere ◽  
2005 ◽  
Vol 61 (3) ◽  
pp. 341-346 ◽  
Author(s):  
Junya Suegara ◽  
Byung-Dae Lee ◽  
Maria P. Espino ◽  
Satoshi Nakai ◽  
Masaaki Hosomi
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Degradation Pathways ◽  
Functional Theory

Doping effects on the geometric and electronic structure of tin clusters

2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Beam Deflection ◽  
Functional Theory ◽  
Doping Effects ◽  
Depth Analysis ◽  
Trajectory Simulations

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.

What correlation effects are covered by density functional theory?

2000 ◽  
Vol 98 (20) ◽  
pp. 1639-1658 ◽  
Author(s):  
Yuan He, Jurgen Grafenstein, Elfi Kraka,
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Correlation Effects ◽  
Functional Theory
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