A DENSITY FUNCTIONAL THEORY ANALYSIS OF THE MOLECULAR HYDROGEN DISSOCIATION ON AlnPt (n = 1-12) CLUSTERS

doi:10.15372/jsc20150402

A DENSITY FUNCTIONAL THEORY ANALYSIS OF THE MOLECULAR HYDROGEN DISSOCIATION ON AlnPt (n = 1-12) CLUSTERS

Журнал структурной химии ◽

10.15372/jsc20150402 ◽

2015 ◽

Vol 56 (4) ◽

Keyword(s):

Density Functional Theory ◽

Molecular Hydrogen ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory ◽

Hydrogen Dissociation

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A density functional theory analysis of the molecular hydrogen dissociation on Al n Pt (n = 1-12) clusters

Journal of Structural Chemistry ◽

10.1134/s0022476615040022 ◽

2015 ◽

Vol 56 (4) ◽

pp. 608-618 ◽

Cited By ~ 2

Author(s):

X. An ◽

L. Guo ◽

N. Ren ◽

C. Wen ◽

X. Dong ◽

...

Keyword(s):

Density Functional Theory ◽

Molecular Hydrogen ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory ◽

Hydrogen Dissociation

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Exploring the catalytic mechanisms of non-noble VIIIB metal dimer embedded in graphene toward CO oxidation by density functional theory analysis

Applied Surface Science ◽

10.1016/j.apsusc.2021.149780 ◽

2021 ◽

pp. 149780

Author(s):

Mingming Luo ◽

Chao Liu ◽

Meiling Liu ◽

Shaik Gouse Peera ◽

Tongxiang Liang

Keyword(s):

Density Functional Theory ◽

Co Oxidation ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory ◽

Catalytic Mechanisms

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Delimiting the boron influence on the adsorptive properties of water and OH radicals on H-terminated Boron Doped Diamond catalysts: A Density Functional Theory analysis

Surface Science ◽

10.1016/j.susc.2016.04.018 ◽

2016 ◽

Vol 653 ◽

pp. 27-33 ◽

Cited By ~ 5

Author(s):

Raciel Jaimes ◽

Jorge Vazquez-Arenas ◽

Ignacio González ◽

Marcelo Galván

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Oh Radicals ◽

Theory Analysis ◽

Boron Doped Diamond ◽

Functional Theory ◽

Boron Doped ◽

Adsorptive Properties

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Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.07.004 ◽

2007 ◽

Vol 67 (1) ◽

pp. 214-224 ◽

Cited By ~ 24

Author(s):

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B. Dominic Joshua

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory

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Density Functional Theory Analysis of the Importance of Coordination Geometry for 5f36d1 versus 5f4 Electron Configurations in U(II) Complexes

Inorganic Chemistry ◽

10.1021/acs.inorgchem.1c02161 ◽

2021 ◽

Author(s):

Justin C. Wedal ◽

Filipp Furche ◽

William J. Evans

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Coordination Geometry ◽

Theory Analysis ◽

Functional Theory

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Density Functional Theory Analysis of the Reaction Pathway for Methane Oxidation to Acetic Acid Catalyzed by Pd2+in Sulfuric Acid

Journal of the American Chemical Society ◽

10.1021/ja055756i ◽

2006 ◽

Vol 128 (14) ◽

pp. 4650-4657 ◽

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Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Sulfuric Acid ◽

Methane Oxidation ◽

Density Functional ◽

Reaction Pathway ◽

Theory Analysis ◽

Functional Theory ◽

Acid Catalyzed

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Synthesis, Characterization, and Density Functional Theory Analysis of Uranium and Thorium Complexes Containing Nitrogen-Rich 5-Methyltetrazolate Ligands

Inorganic Chemistry ◽

10.1021/acs.inorgchem.6b00492 ◽

2016 ◽

Vol 55 (10) ◽

pp. 4941-4950 ◽

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Author(s):

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Katie A. Maerzke ◽

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David E. Morris ◽

Brian L. Scott ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory

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A Density Functional Theory study of molecular hydrogen adsorption on Mg site in OFF type zeolite cluster

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2020.02.110 ◽

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Vol 45 (60) ◽

pp. 34983-34992

Author(s):

Numan Yuksel ◽

Ahmet Kose ◽

M. Ferdi Fellah

Keyword(s):

Density Functional Theory ◽

Molecular Hydrogen ◽

Density Functional ◽

Hydrogen Adsorption ◽

Density Functional Theory Study ◽

Functional Theory ◽

Type Zeolite

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ACS Applied Nano Materials ◽

10.1021/acsanm.9b01067 ◽

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Arpita Barma ◽

Corrado Rizzoli ◽

Pritam Ghosh ◽

Partha Roy

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Metal Organic Frameworks ◽

Theory Analysis ◽

Pesticide Detection ◽

Functional Theory ◽

Metal Organic

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Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)

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Filipp Furche ◽

Gerd Meyer ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory ◽

Dinitrogen Complex

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