Complexation of Trivalent Metal Cations to Mannuronate Type Alginate Models from a Density Functional Study

2016 ◽  
Vol 120 (15) ◽  
pp. 3615-3623 ◽  
Author(s):  
Chemseddine Menakbi ◽  
Francoise Quignard ◽  
Tzonka Mineva
Keyword(s):  
Density Functional ◽  
Metal Cations ◽  
Functional Study ◽  
Trivalent Metal ◽  
Density Functional Study

Density Functional Study of Ammonia Activation by Late First-Row Transition Metal Cations

2004 ◽  
Vol 43 (16) ◽  
pp. 4944-4952 ◽  
Author(s):  
Maria del Carmen Michelini ◽  
Nino Russo ◽  
Emilia Sicilia
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Metal Cations ◽  
Functional Study ◽  
Transition Metal Cations ◽  
Density Functional Study

Density Functional Study of Methane Interaction with Alkali and Alkaline-Earth Metal Cations in Zeolites

Langmuir ◽  
1998 ◽  
Vol 14 (19) ◽  
pp. 5559-5567 ◽  
Author(s):  
Anna Maria Ferrari ◽  
Konstantin M. Neyman ◽  
Silvia Huber ◽  
Helmut Knözinger ◽  
Notker Rösch
Keyword(s):  
Density Functional ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Metal Cations ◽  
Functional Study ◽  
Alkaline Earth Metal ◽  
Density Functional Study

scholarly journals Effect of the number of nitrogen dopants on the electronic and magnetic properties of graphitic and pyridinic N-doped graphene – a density-functional study

RSC Advances ◽  
2021 ◽  
Vol 11 (30) ◽  
pp. 18371-18380
Author(s):  
Erik Bhekti Yutomo ◽  
Fatimah Arofiati Noor ◽  
Toto Winata
Keyword(s):  
Magnetic Properties ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic And Magnetic Properties ◽  
Doped Graphene ◽  
Dopant Atoms ◽  
Pyridinic N

The number of dopant atoms is a parameter that can effectively tune the electronic and magnetic properties of graphitic and pyridinic N-doped graphene.

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