Alkali metal induced effects on coadsorbed carbon monoxide on Co(0001): A density functional theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.12.028 ◽

2013 ◽

Vol 1009 ◽

pp. 55-59 ◽

Cited By ~ 5

Author(s):

S.H. Ma ◽

Z.Y. Jiao ◽

X.Z. Zhang ◽

X.Q. Dai

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Alkali Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study of the alkali metal atom–carbon monoxide interactions: Singularity of the Li atom

The Journal of Chemical Physics ◽

10.1063/1.469302 ◽

1995 ◽

Vol 102 (14) ◽

pp. 5719-5724 ◽

Cited By ~ 12

Author(s):

P. Pullumbi ◽

Y. Bouteiller ◽

J. P. Perchard

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Alkali Metal ◽

Metal Atom ◽

Density Functional ◽

Alkali Metal Atom ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of carbon monoxide adsorption on transition metal doped armchair graphene nanoribbon

Materials Today Proceedings ◽

10.1016/j.matpr.2021.11.078 ◽

2021 ◽

Author(s):

R. Deji ◽

Akarsh Verma ◽

Navjot Kaur ◽

B.C. Choudhary ◽

Ramesh K. Sharma

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Transition Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Carbon Monoxide Adsorption ◽

Metal Doped ◽

Armchair Graphene Nanoribbon ◽

Armchair Graphene

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Density Functional Theory Study of the Interaction of Carbon Monoxide with Bimetallic Co−Mn Clusters

The Journal of Physical Chemistry A ◽

10.1021/jp106321s ◽

2010 ◽

Vol 114 (39) ◽

pp. 10508-10514 ◽

Cited By ~ 24

Author(s):

Jinli Du ◽

Guangfen Wu ◽

Jinlan Wang

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Interaction of carbon monoxide with bimetallic Co–Pt clusters: A density functional theory study

Computational Materials Science ◽

10.1016/j.commatsci.2012.01.038 ◽

2012 ◽

Vol 58 ◽

pp. 77-86 ◽

Cited By ~ 8

Author(s):

Ali Sebetci

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Complexation of alkali–metal cations by conformationally rigid, stereoisomeric calix[4]arene crown ethers: A density functional theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.04.021 ◽

2011 ◽

Vol 967 (2-3) ◽

pp. 235-242 ◽

Cited By ~ 4

Author(s):

Yong Xia ◽

Xueye Wang ◽

Yu Zhang ◽

Benhua Luo

Keyword(s):

Density Functional Theory ◽

Alkali Metal ◽

Crown Ethers ◽

Density Functional ◽

Metal Cations ◽

Density Functional Theory Study ◽

Alkali Metal Cations ◽

Functional Theory

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Binding selectivity of dibenzo-18-crown-6 for alkali metal cations in aqueous solution: A density functional theory study using a continuum solvation model

Chemistry Central Journal ◽

10.1186/1752-153x-6-84 ◽

2012 ◽

Vol 6 (1) ◽

Cited By ~ 19

Author(s):

Chang Min Choi ◽

Jiyoung Heo ◽

Nam Joon Kim

Keyword(s):

Aqueous Solution ◽

Density Functional Theory ◽

Alkali Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Continuum Solvation ◽

Alkali Metal Cations ◽

Solvation Model ◽

Binding Selectivity ◽

Functional Theory

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Density Functional Theory Study on the Mechanism of Calcium Sulfate Reductive Decomposition by Carbon Monoxide

Industrial & Engineering Chemistry Research ◽

10.1021/ie202203b ◽

2012 ◽

Vol 51 (18) ◽

pp. 6563-6570 ◽

Cited By ~ 14

Author(s):

Xuemei Zhang ◽

Xingfu Song ◽

Ze Sun ◽

Ping Li ◽

Jianguo Yu

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Calcium Sulfate ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Reductive Decomposition

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Density functional theory study of small alkali-metal cluster radicals

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9959104343 ◽

1995 ◽

Vol 91 (24) ◽

pp. 4343 ◽

Cited By ~ 8

Author(s):

Fahmi Himo ◽

Leif A. Eriksson

Keyword(s):

Density Functional Theory ◽

Alkali Metal ◽

Density Functional ◽

Metal Cluster ◽

Density Functional Theory Study ◽

Functional Theory

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Time-Dependent Density Functional Theory Study on the Electronic Excited State of Hydrogen-Bonded Clusters Formed by 2-Hydroxybenzonitrile (o-Cyanophenol) and Carbon Monoxide

Journal of Cluster Science ◽

10.1007/s10876-011-0406-2 ◽

2011 ◽

Vol 22 (3) ◽

pp. 501-511 ◽

Cited By ~ 10

Author(s):

Jiazuo Zhang ◽

Guangyan Zhao ◽

Ruizhou Li ◽

Dongyu Hou

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited State ◽

Dependent Density ◽

Hydrogen Bonded

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Oxidation of Carbon Monoxide on Group 11 Metal Atoms: Matrix-Isolation Infrared Spectroscopic and Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp055155d ◽

2006 ◽

Vol 110 (8) ◽

pp. 2655-2662 ◽

Cited By ~ 20

Author(s):

Qiang Xu ◽

Ling Jiang

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metal Atoms ◽

Infrared Spectroscopic ◽

Oxidation Of Carbon Monoxide

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