Density functional theory study of small alkali-metal cluster radicals

Fahmi Himo; Leif A. Eriksson

doi:10.1039/ft9959104343

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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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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The small metal cluster IrAu+ mediated C–N coupling: A density functional theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.01.002 ◽

2012 ◽

Vol 983 ◽

pp. 76-82 ◽

Cited By ~ 1

Author(s):

Xiufang Hou ◽

Zhiyuan Geng ◽

Yongcheng Wang ◽

Shaoli Liu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Metal Cluster ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study on the geometric, electronic and vibrational structures of alkali metal porphyrin complexes

Chemical Physics Letters ◽

10.1016/s0009-2614(02)00931-4 ◽

2002 ◽

Vol 361 (1-2) ◽

pp. 106-114 ◽

Cited By ~ 23

Author(s):

Dong-Ming Chen ◽

Xia Liu ◽

Tian-Jing He ◽

Fan-Chen Liu

Keyword(s):

Density Functional Theory ◽

Alkali Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Metal Porphyrin ◽

Functional Theory

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A density functional theory study of the alkali metal graphite intercalation compounds using model complexes

Carbon ◽

10.1016/j.carbon.2008.06.031 ◽

2008 ◽

Vol 46 (12) ◽

pp. 1-2

Author(s):

Masato Oshima ◽

Kaoru Takeda ◽

Yusuke Okabe ◽

Rika Matsumoto

Keyword(s):

Density Functional Theory ◽

Alkali Metal ◽

Density Functional ◽

Intercalation Compounds ◽

Density Functional Theory Study ◽

Functional Theory ◽

Graphite Intercalation Compounds ◽

Model Complexes ◽

Graphite Intercalation

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Density functional theory study on the adsorption of alkali metal ions with pristine and defected graphene sheet

Molecular Physics ◽

10.1080/00268976.2018.1523480 ◽

2018 ◽

Vol 117 (4) ◽

pp. 462-473 ◽

Cited By ~ 7

Author(s):

S. Sangavi ◽

N. Santhanamoorthi ◽

S. Vijayakumar

Keyword(s):

Density Functional Theory ◽

Alkali Metal ◽

Metal Ions ◽

Graphene Sheet ◽

Density Functional ◽

Alkali Metal Ions ◽

Density Functional Theory Study ◽

Functional Theory ◽

Defected Graphene

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Influence of alkali metal superoxides on structure, electronic, and optical properties of Be 12 O 12 nanocage: Density functional theory study

Chinese Physics B ◽

10.1088/1674-1056/25/9/094220 ◽

2016 ◽

Vol 25 (9) ◽

pp. 094220 ◽

Cited By ~ 8

Author(s):

Ali Raoof Toosi ◽

Hamid Reza Shamlouei ◽

Asghar Mohammadi Hesari

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Alkali Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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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 the Alkali Metal Cation Adsorption on Pt(111), Pt(100), and Pt(110) Surfaces

ECS Transactions ◽

10.1149/06113.0047ecst ◽

2014 ◽

Vol 61 (13) ◽

pp. 47-53 ◽

Cited By ~ 13

Author(s):

I. Matanovic ◽

P. Atanassov ◽

F. Garzon ◽

N. J. Henson

Keyword(s):

Density Functional Theory ◽

Alkali Metal ◽

Metal Cation ◽

Density Functional ◽

Alkali Metal Cation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cation Adsorption

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Diffusion of alkali metal atoms (Li, Na, K) on aluminum nitride and boron nitride nanocages; a density functional theory study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2018.03.009 ◽

2018 ◽

Vol 259 ◽

pp. 249-259 ◽

Cited By ~ 13

Author(s):

Sajida Munsif ◽

Khurshid Ayub

Keyword(s):

Density Functional Theory ◽

Boron Nitride ◽

Alkali Metal ◽

Aluminum Nitride ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metal Atoms

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