scholarly journals DFT study of the stabilization effect on anthocyanins via secondary interactions

2021 ◽  
pp. 100057
Author(s):  
Yi-Cong Lou ◽  
Pu Jing
Keyword(s):  
Dft Study ◽  
Secondary Interactions ◽  
Stabilization Effect

Formation of large clusters of CO2 around anions: DFT study reveals cooperative CO2 adsorption

2019 ◽  
Vol 21 (41) ◽  
pp. 23143-23153 ◽  
Author(s):  
Sebastian Anila ◽  
Cherumuttathu H. Suresh
Keyword(s):  
Co2 Adsorption ◽  
Dft Study ◽  
Anionic Clusters ◽  
Secondary Interactions ◽  
Primary Anion ◽  
Large Clusters

The cooperative O⋯C secondary interactions compensate for the diminishing effect of primary anion⋯C interactions in anionic clusters of CO2 molecules.

DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives

2009 ◽  
Author(s):  
Manuel Fernández-Gómez ◽  
Amparo Navarro ◽  
MªPaz Fernández-Liencres ◽  
Mónica Moral ◽  
José Manuel Granadino-Roldán ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Dft Study

Formation/Fate of Reactive Metabolites from General Anesthetics and A Comparison of Toxic and Non-Toxic Analogues: A DFT Study

2013 ◽  
Vol 6 (4) ◽  
pp. 221-234 ◽  
Author(s):  
Sonam Bhatia ◽  
Vaibhav Dixit ◽  
Harish Jangra ◽  
Prasad Bharatam
Keyword(s):  
Dft Study ◽  
Reactive Metabolites ◽  
General Anesthetics
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