Density functional study on the adsorption and dissociation of nitroamine over the nanosized tube of MgO

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2014.04.016 ◽

2014 ◽

Vol 62 ◽

pp. 48-54 ◽

Cited By ~ 21

Author(s):

Maryam Nayebzadeh ◽

Ali Ahmadi Peyghan ◽

Hamed Soleymanabadi

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Adsorption And Dissociation

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Adsorption and dissociation of methanol on Au(1 1 1) surface: A first-principles periodic density functional study

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.05.040 ◽

2006 ◽

Vol 770 (1-3) ◽

pp. 87-91 ◽

Cited By ~ 50

Author(s):

Wen-Kai Chen ◽

Shu-Hong Liu ◽

Mei-Juan Cao ◽

Qian-Gu Yan ◽

Chun-Hai Lu

Keyword(s):

First Principles ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Adsorption And Dissociation

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Hydrogen adsorption and dissociation on small platinum clusters: An electronic structure density functional study

Physical Review B ◽

10.1103/physrevb.74.195407 ◽

2006 ◽

Vol 74 (19) ◽

Cited By ~ 18

Author(s):

M. N. Huda ◽

Leonard Kleinman

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Hydrogen Adsorption ◽

Functional Study ◽

Density Functional Study ◽

Platinum Clusters ◽

Structure Density ◽

Adsorption And Dissociation

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Adsorption and dissociation of molecular oxygen on α-Pu (020) surface: A density functional study

Physica B Condensed Matter ◽

10.1016/j.physb.2011.05.041 ◽

2011 ◽

Vol 406 (17) ◽

pp. 3285-3294 ◽

Cited By ~ 1

Author(s):

Jianguang Wang ◽

Asok K. Ray

Keyword(s):

Molecular Oxygen ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Adsorption And Dissociation

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Catalytic activity of Rh /MegO-nanotube for NO adsorption and dissociation: A van der waals density functional study

Applied Surface Science ◽

10.1016/j.apsusc.2020.147179 ◽

2020 ◽

Vol 530 ◽

pp. 147179

Author(s):

Zhixue Tian ◽

Huiyan Zhao ◽

Pan Li ◽

Qingmin Ma ◽

Ying Liu

Keyword(s):

Catalytic Activity ◽

Density Functional ◽

Van Der Waals ◽

Functional Study ◽

No Adsorption ◽

Density Functional Study ◽

Adsorption And Dissociation

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A density functional study of the interaction of dihydrogen with MoN clusters (N = 2-8). Adsorption and dissociation of H2 and cluster reconstruction after desorption

International Journal of Quantum Chemistry ◽

10.1002/qua.22683 ◽

2010 ◽

Vol 111 (12) ◽

pp. 3201-3211 ◽

Cited By ~ 2

Author(s):

Faustino Aguilera Granja ◽

Reinaldo Pis Diez

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Adsorption And Dissociation

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A Systematic Density Functional Study of Molecular Oxygen Adsorption and Dissociation on the (001) Surface of Group IV−VI Transition Metal Carbides

The Journal of Physical Chemistry C ◽

10.1021/jp0754987 ◽

2007 ◽

Vol 111 (45) ◽

pp. 16982-16989 ◽

Cited By ~ 53

Author(s):

F. Viñes ◽

C. Sousa ◽

F. Illas ◽

P. Liu ◽

J. A. Rodriguez

Keyword(s):

Transition Metal ◽

Molecular Oxygen ◽

Density Functional ◽

Oxygen Adsorption ◽

Group Iv ◽

Functional Study ◽

Metal Carbides ◽

Density Functional Study ◽

Transition Metal Carbides ◽

Adsorption And Dissociation

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Density functional study of H2O adsorption and dissociation on WC(0001)

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2014.04.031 ◽

2014 ◽

Vol 1039 ◽

pp. 75-80 ◽

Cited By ~ 16

Author(s):

Wanfang Zheng ◽

Litao Chen ◽

Chun’an Ma

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Adsorption And Dissociation

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Adsorption and dissociation of hydrogen peroxide on small PdxM3−x(M = Pt, Cu;x = 1−3) clusters: a hybrid density functional study

Molecular Physics ◽

10.1080/00268976.2011.592862 ◽

2011 ◽

Vol 109 (14) ◽

pp. 1797-1804 ◽

Cited By ~ 1

Author(s):

Masoud Nahali ◽

Fereydoon Gobal ◽

Ramezan Arab

Keyword(s):

Hydrogen Peroxide ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hybrid Density Functional ◽

Adsorption And Dissociation

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Hydrogen adsorption and dissociation on small AlnAu clusters: an electronic structure density functional study

The European Physical Journal D ◽

10.1140/epjd/e2013-40007-8 ◽

2013 ◽

Vol 67 (7) ◽

Cited By ~ 5

Author(s):

Ling Guo ◽

Shu-ying Li ◽

Xiao Zhang ◽

Rui-jun Zhang ◽

Jian Guo

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Hydrogen Adsorption ◽

Functional Study ◽

Density Functional Study ◽

Structure Density ◽

Adsorption And Dissociation

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A density functional study on adsorption and dissociation of O2 on Ir(100) surface

Chemical Physics ◽

10.1016/j.chemphys.2011.05.015 ◽

2011 ◽

Vol 385 (1-3) ◽

pp. 35-40 ◽

Cited By ~ 15

Author(s):

I.A. Erikat ◽

B.A. Hamad ◽

J.M. Khalifeh

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Adsorption And Dissociation

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