Density Functional Theory
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9781789851670, 9781789851687
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scholarly journals Density Functional Theory Studies of Catalytic Sites in Metal- Organic Frameworks

2019 ◽  
Author(s):  
Siwarut Siwaipram ◽  
Sarawoot Impeng ◽  
Philippe A. Bopp ◽  
Sareeya Bureekaew
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Metal Organic Frameworks ◽  
Functional Theory ◽  
Catalytic Sites ◽  
Metal Organic

scholarly journals New Insights and Horizons from the Linear Response Function in Conceptual DFT

2019 ◽  
Author(s):  
Paul Geerlings ◽  
Stijn Fias ◽  
Thijs Stuyver ◽  
Paul Ayers ◽  
Robert Balawender ◽  
...  
Keyword(s):  
Response Function ◽  
Linear Response ◽  
Conceptual Dft ◽  
Linear Response Function

scholarly journals Magnetic Ordering in Ilmenites and Corundum-Ordered Structures

2019 ◽  
Author(s):  
Sergio Ricardo De Lazaro ◽  
Luis Henrique Da Silveira Lacerda ◽  
Renan Augusto Pontes Ribeiro
Keyword(s):  
Magnetic Ordering ◽  
Ordered Structures
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