Density Functional Theory Study of Alkali Metal−Noble Metal Diatomic Molecules

G. S.-M. Tong; A. S.-C. Cheung

doi:10.1021/jp026550w

Density Functional Theory Study of Alkali Metal−Noble Metal Diatomic Molecules

The Journal of Physical Chemistry A ◽

10.1021/jp026550w ◽

2002 ◽

Vol 106 (47) ◽

pp. 11637-11643 ◽

Cited By ~ 22

Author(s):

G. S.-M. Tong ◽

A. S.-C. Cheung

Keyword(s):

Density Functional Theory ◽

Alkali Metal ◽

Noble Metal ◽

Density Functional ◽

Diatomic Molecules ◽

Density Functional Theory Study ◽

Functional Theory

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Conventional and acoustic surface plasmons on noble metal surfaces: A time-dependent density functional theory study

Physical Review B ◽

10.1103/physrevb.86.241404 ◽

2012 ◽

Vol 86 (24) ◽

Cited By ~ 35

Author(s):

Jun Yan ◽

Karsten W. Jacobsen ◽

Kristian S. Thygesen

Keyword(s):

Density Functional Theory ◽

Surface Plasmons ◽

Noble Metal ◽

Metal Surfaces ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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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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A comparative post-Hartree–Fock and density functional theory study of monochalcogenide diatomic molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.05.018 ◽

2008 ◽

Vol 863 (1-3) ◽

pp. 79-83 ◽

Cited By ~ 7

Author(s):

Mâamar Rekhis ◽

Ourida Ouamerali ◽

Laurent Joubert ◽

Vincent Tognetti ◽

Carlo Adamo

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Diatomic Molecules ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hartree Fock

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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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High level of ab initio and hybrid density functional theory study of electron affinities for some multi-spin diatomic molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00196-1 ◽

1998 ◽

Vol 453 (1-3) ◽

pp. 149-152 ◽

Cited By ~ 13

Author(s):

Branko S Jursic

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Diatomic Molecules ◽

Hybrid Density Functional Theory ◽

Electron Affinities ◽

Density Functional Theory Study ◽

Functional Theory ◽

High Level ◽

Hybrid Density Functional

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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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The Interaction of Noble Metal With La1-xSrxMnO3(001) Surface and Catalytic Role for Oxygen Adsorption: A Density Functional Theory Study

Fuel Cells ◽

10.1002/fuce.201200061 ◽

2012 ◽

Vol 12 (6) ◽

pp. 1048-1055

Author(s):

Y. Zhou ◽

Z. Lü ◽

B. Wei ◽

X. Zhu ◽

D. Yang ◽

...

Keyword(s):

Density Functional Theory ◽

Noble Metal ◽

Density Functional ◽

Oxygen Adsorption ◽

Density Functional Theory Study ◽

Functional Theory ◽

Catalytic Role

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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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