DENSITY FUNCTIONAL THEORY STUDY: ADSORPTION OF SMALL GAS MOLECULES ON ALUMINIUM PHOSPHORENE MONOLAYER.

Fares A. Yasseen;  ; Tamadhur Alaa Hussein; Abbas H. Abo Nasria;  ;

doi:10.15863/tas.2021.04.96.63

DENSITY FUNCTIONAL THEORY STUDY: ADSORPTION OF SMALL GAS MOLECULES ON ALUMINIUM PHOSPHORENE MONOLAYER.

Theoretical & Applied Science ◽

10.15863/tas.2021.04.96.63 ◽

2021 ◽

Vol 96 (04) ◽

pp. 311-320

Author(s):

Fares A. Yasseen ◽

◽

Tamadhur Alaa Hussein ◽

Abbas H. Abo Nasria ◽

◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Gas Molecules

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Adsorption mechanism of sulphide gas molecules on γ-Fe(1 1 1) surface: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2021.150376 ◽

2021 ◽

pp. 150376

Author(s):

Meng Hao ◽

Wen Zeng

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Adsorption Mechanism ◽

Density Functional Theory Study ◽

Functional Theory ◽

Gas Molecules

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Mn Doped

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Nitrotyrosine adsorption on carbon nanotube: a density functional theory study

Indian Journal of Physics ◽

10.1007/s12648-013-0438-6 ◽

2014 ◽

Vol 88 (5) ◽

pp. 483-487 ◽

Cited By ~ 15

Author(s):

R. Majidi ◽

A. R. Karami

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on Raman Spectra of Rhodamine Molecules in Different Forms

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/27/03/291-296 ◽

2014 ◽

Vol 27 (3) ◽

pp. 291-296 ◽

Cited By ~ 1

Author(s):

Yong Ma ◽

Wei Hu ◽

Xiu-neng Song ◽

Chuan-kui Wang

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Binuclear ethylenedithiolate iron carbonyls: A density functional theory study

Inorganica Chimica Acta ◽

10.1016/j.ica.2021.120260 ◽

2021 ◽

Vol 519 ◽

pp. 120260

Author(s):

Luana-Flavia Radu ◽

Amr A.A. Attia ◽

Radu Silaghi-Dumitrescu ◽

Alexandru Lupan ◽

R. Bruce King

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Iron Carbonyls

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DENSITY FUNCTIONAL THEORY STUDY: ADSORPTION OF SMALL GAS MOLECULES ON ALUMINIUM PHOSPHORENE MONOLAYER.

Adsorption mechanism of sulphide gas molecules on γ-Fe(1 1 1) surface: A density functional theory study

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Nitrotyrosine adsorption on carbon nanotube: a density functional theory study

Density Functional Theory Study on Raman Spectra of Rhodamine Molecules in Different Forms

Binuclear ethylenedithiolate iron carbonyls: A density functional theory study

Adsorption mechanism of sulphide gas molecules on γ-Fe(1 1 1) surface: A density functional theory study