Adsorption of CO on Rh(100) studied by ab initio local-density functional calculations

A. Eichler; J. Hafner

doi:10.1063/1.477176

Adsorption of CO on Rh(100) studied by ab initio local-density functional calculations

The Journal of Chemical Physics ◽

10.1063/1.477176 ◽

1998 ◽

Vol 109 (13) ◽

pp. 5585-5595 ◽

Cited By ~ 39

Author(s):

A. Eichler ◽

J. Hafner

Keyword(s):

Ab Initio ◽

Density Functional Calculations ◽

Density Functional ◽

Local Density ◽

Adsorption Of Co ◽

Local Density Functional

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The phonon spectrum of diamond derived from ab initio local density functional calculations on atomic clusters

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/21/34/010 ◽

1988 ◽

Vol 21 (34) ◽

pp. 5735-5745 ◽

Cited By ~ 62

Author(s):

R Jones

Keyword(s):

Ab Initio ◽

Phonon Spectrum ◽

Density Functional Calculations ◽

Density Functional ◽

Local Density ◽

Atomic Clusters ◽

Local Density Functional

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Ab Initio Hartree-Fock and Local Density Functional Calculations on Prototype Halogenated Porphyrins. Do Electrochemically Measured Substituent Effects Reflect Gas-Phase Trends?

The Journal of Physical Chemistry ◽

10.1021/j100094a003 ◽

1994 ◽

Vol 98 (43) ◽

pp. 11004-11006 ◽

Cited By ~ 19

Author(s):

Abhik Ghosh

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Density Functional Calculations ◽

Density Functional ◽

Local Density ◽

Substituent Effects ◽

Hartree Fock ◽

Local Density Functional

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Local density functional calculations of the electronic structures of the intermetallic systems U2Fe2Sn and UFe2Ge2

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1997)61:4<705::aid-qua13>3.0.co;2-4 ◽

1997 ◽

Vol 61 (4) ◽

pp. 705-709 ◽

Cited By ~ 9

Author(s):

S. F. Matar ◽

V. Eyert ◽

B. Chevalier ◽

J. Etourneau

Keyword(s):

Electronic Structures ◽

Density Functional Calculations ◽

Density Functional ◽

Local Density ◽

Local Density Functional

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Charge and Spin Densities in Molecular Solids: Local Density Functional Calculations Versus Experiment

Density Matrices and Density Functionals ◽

10.1007/978-94-009-3855-7_28 ◽

1987 ◽

pp. 517-544

Author(s):

Pierre J. Becker

Keyword(s):

Density Functional Calculations ◽

Density Functional ◽

Local Density ◽

Molecular Solids ◽

Local Density Functional ◽

Spin Densities

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Microscopic structure and bonding at the Pd/SrTiO3 (001) Interface an ab-initio local-density-functional study

Integrated Ferroelectrics ◽

10.1080/10584580108215697 ◽

2001 ◽

Vol 32 (1-4) ◽

pp. 267-278 ◽

Cited By ~ 35

Author(s):

Thorsten Ochs ◽

Sibylle Köstlmeier ◽

Christian Elsässer

Keyword(s):

Ab Initio ◽

Density Functional ◽

Local Density ◽

Functional Study ◽

Microscopic Structure ◽

Density Functional Study ◽

Local Density Functional ◽

Structure And Bonding

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Basis‐set‐free local density‐functional calculations of geometries of polyatomic molecules

The Journal of Chemical Physics ◽

10.1063/1.466134 ◽

1993 ◽

Vol 99 (5) ◽

pp. 3898-3905 ◽

Cited By ~ 125

Author(s):

Ross M. Dickson ◽

Axel D. Becke

Keyword(s):

Density Functional Calculations ◽

Density Functional ◽

Local Density ◽

Polyatomic Molecules ◽

Basis Set ◽

Local Density Functional

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Energy barriers of symmetry‐forbidden reactions: Local density functional calculations

The Journal of Chemical Physics ◽

10.1063/1.459971 ◽

1991 ◽

Vol 94 (2) ◽

pp. 1668-1669 ◽

Cited By ~ 24

Author(s):

Michael Grodzicki ◽

Jorge M. Seminario ◽

Peter Politzer

Keyword(s):

Density Functional Calculations ◽

Density Functional ◽

Local Density ◽

Energy Barriers ◽

Local Density Functional

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Local-density-functional calculations of the vacancy-oxygen center in Ge

Physical Review B ◽

10.1103/physrevb.75.115206 ◽

2007 ◽

Vol 75 (11) ◽

Cited By ~ 9

Author(s):

A. Carvalho ◽

R. Jones ◽

J. Coutinho ◽

V. J. B. Torres ◽

S. Öberg ◽

...

Keyword(s):

Density Functional Calculations ◽

Density Functional ◽

Local Density ◽

Oxygen Center ◽

Local Density Functional

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Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study

Journal of Catalysis ◽

10.1006/jcat.1999.2743 ◽

2000 ◽

Vol 190 (1) ◽

pp. 128-143 ◽

Cited By ~ 224

Author(s):

P. Raybaud ◽

J. Hafner ◽

G. Kresse ◽

S. Kasztelan ◽

H. Toulhoat

Keyword(s):

Ab Initio ◽

Electronic Properties ◽

Density Functional ◽

Local Density ◽

Functional Study ◽

Density Functional Study ◽

Local Density Functional ◽

Mos2 Catalyst

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Photoelectron spectra from local-density-functional calculations: Application to chain polymers

Physical Review B ◽

10.1103/physrevb.36.3312 ◽

1987 ◽

Vol 36 (6) ◽

pp. 3312-3318 ◽

Cited By ~ 12

Author(s):

J. W. Mintmire ◽

F. W. Kutzler ◽

C. T. White

Keyword(s):

Density Functional Calculations ◽

Density Functional ◽

Local Density ◽

Photoelectron Spectra ◽

Local Density Functional

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