Density Functional Theory
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7

(FIVE YEARS 7)

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Published By Intechopen

9781789851670, 9781789851687

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Density Functional Theory Studies of Catalytic Sites in Metal- Organic Frameworks

Density Functional Theory ◽

10.5772/intechopen.80698 ◽

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 ◽

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The Application of Periodic Density Functional Theory to the Study of Uranyl-Containing Materials: Thermodynamic Properties and Stability

Density Functional Theory ◽

10.5772/intechopen.79558 ◽

2019 ◽

Author(s):

Francisco Colmenero Ruiz

Keyword(s):

Density Functional Theory ◽

Thermodynamic Properties ◽

Density Functional ◽

Functional Theory

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Modeling with DFT and Chemical Descriptors Approach for the Development of Catalytic Alloys for PEMFCs

Density Functional Theory ◽

10.5772/intechopen.80922 ◽

2019 ◽

Author(s):

Alejandro E. Pérez ◽

Rafael Ribadeneira

Keyword(s):

Chemical Descriptors

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The Use of Density Functional Theory to Decipher the Electrochemical Activity of Metal Clathrochelates with Regard to the Hydrogen Evolution Reaction in the Homogeneous Phase

Density Functional Theory ◽

10.5772/intechopen.80267 ◽

2019 ◽

Author(s):

Manuel Antuch ◽

Pierre Millet

Keyword(s):

Density Functional Theory ◽

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

Density Functional ◽

Electrochemical Activity ◽

Functional Theory ◽

Homogeneous Phase

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Role of Density Functional Theory in “Ribocomputing Devices”

Density Functional Theory ◽

10.5772/intechopen.80491 ◽

2019 ◽

Author(s):

Ruby Srivastava

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory

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

Density Functional Theory ◽

10.5772/intechopen.80280 ◽

2019 ◽

Author(s):

Paul Geerlings ◽

Stijn Fias ◽

Thijs Stuyver ◽

Paul Ayers ◽

Robert Balawender ◽

...

Keyword(s):

Response Function ◽

Linear Response ◽

Conceptual Dft ◽

Linear Response Function

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Magnetic Ordering in Ilmenites and Corundum-Ordered Structures

Density Functional Theory ◽

10.5772/intechopen.81772 ◽

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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