First-Principles Study of Molecular Hydrogen Adsorption and Dissociation on AlnCr (n = 1–13) Clusters

Ling Guo

doi:10.1021/jp310833y

First-Principles Study of Molecular Hydrogen Adsorption and Dissociation on AlnCr (n = 1–13) Clusters

The Journal of Physical Chemistry A ◽

10.1021/jp310833y ◽

2013 ◽

Vol 117 (16) ◽

pp. 3458-3466 ◽

Cited By ~ 17

Author(s):

Ling Guo

Keyword(s):

First Principles ◽

Molecular Hydrogen ◽

Hydrogen Adsorption ◽

First Principles Study ◽

Adsorption And Dissociation

Altering the spin state of transition metal centers in metal–organic frameworks by molecular hydrogen adsorption: a first-principles study

Physical Chemistry Chemical Physics ◽

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Yong-Hyun Kim ◽

Kyuho Lee ◽

D. West ◽

S. B. Zhang

Keyword(s):

Transition Metal ◽

Spin State ◽

First Principles ◽

Molecular Hydrogen ◽

Hydrogen Adsorption ◽

Metal Organic Frameworks ◽

Metal Centers ◽

First Principles Study ◽

Metal Organic

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The European Physical Journal D ◽

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Keyword(s):

First Principles ◽

Molecular Hydrogen ◽

Hydrogen Adsorption ◽

First Principles Study

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10.1063/1.3503654 ◽

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Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study ◽

Metal Doped

REGULAR ARTICLE: Nitrogen and Hydrogen Adsorption on the Pyrite FeS2 (100) surface: First-Principles Study

Communications in Computational Chemistry ◽

10.4208/cicc.2017.v5.n3.3 ◽

2017 ◽

Vol 5 (3) ◽

pp. 78-85

Author(s):

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Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

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Author(s):

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Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

First-principles Study of Adsorption and Dissociation of Methanol on the Pt(100) Surface

Chinese Journal of Chemical Physics ◽

10.1088/1674-0068/25/02/199-203 ◽

2012 ◽

Vol 25 (2) ◽

pp. 199-203

Author(s):

Zhuo Wang ◽

Er-jun Kan ◽

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Keyword(s):

First Principles ◽

First Principles Study ◽

Adsorption And Dissociation

Theoretical investigation of molecular hydrogen adsorption and dissociation on AlnV(n = 1–13) clusters

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2013.01.086 ◽

2013 ◽

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pp. 3640-3649 ◽

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Author(s):

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Keyword(s):

Theoretical Investigation ◽

Molecular Hydrogen ◽

Hydrogen Adsorption ◽

Adsorption And Dissociation

A first-principles study of hydrogen adsorption on Ni-decorated defective GaN monolayer

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...

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

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Vol 533 ◽

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Keyword(s):

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Hydrogen Adsorption ◽

Α Al2o3 ◽

Adsorption And Dissociation

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Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study