Theoretical and Computational Chemistry - Computational Materials Science
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Spin-polarised surfaces: Current state of Density Functional Theory investigations

Theoretical and Computational Chemistry - Computational Materials Science ◽

10.1016/s1380-7323(04)80022-0 ◽

2004 ◽

pp. 261-295 ◽

Cited By ~ 2

Author(s):

S.J. Jenkins

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Current State

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Theoretical and Computational Chemistry

Theoretical and Computational Chemistry - Computational Materials Science ◽

10.1016/s1380-7323(13)60004-7 ◽

2004 ◽

pp. ii

Keyword(s):

Computational Chemistry

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Front Matter

Theoretical and Computational Chemistry - Computational Materials Science ◽

10.1016/s1380-7323(13)60005-9 ◽

2004 ◽

pp. iii

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A theory-guided design of bimetallic nanoparticle catalysts for fuel cell applications

Theoretical and Computational Chemistry - Computational Materials Science ◽

10.1016/s1380-7323(04)80024-4 ◽

2004 ◽

pp. 325-365 ◽

Cited By ~ 7

Author(s):

Yasuyuki Ishikawa ◽

Meng-Sheng Liao ◽

Carlos R. Cabrera

Keyword(s):

Fuel Cell ◽

Nanoparticle Catalysts ◽

Bimetallic Nanoparticle

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Copyright page

Theoretical and Computational Chemistry - Computational Materials Science ◽

10.1016/s1380-7323(13)60006-0 ◽

2004 ◽

pp. iv

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Many-body luminescence from highly excited quantum-confined structures

Theoretical and Computational Chemistry - Computational Materials Science ◽

10.1016/s1380-7323(04)80021-9 ◽

2004 ◽

pp. 229-259

Author(s):

T.V. Shahbazyana ◽

M.E. Raikhb

Keyword(s):

Many Body ◽

Confined Structures ◽

Quantum Confined

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Supported metal species and adsorption complexes on metal oxides and in zeolites: Density functional cluster model studies

Theoretical and Computational Chemistry - Computational Materials Science ◽

10.1016/s1380-7323(04)80025-6 ◽

2004 ◽

pp. 367-450 ◽

Cited By ~ 4

Author(s):

Notker Rösch,a ◽

Vladimir A. Nasluzovb ◽

Konstantin M. Neymana ◽

Gianfranco Pacchionic ◽

Georgi N. Vayssilovd

Keyword(s):

Metal Oxides ◽

Cluster Model ◽

Density Functional ◽

Metal Species ◽

Functional Cluster ◽

Model Studies ◽

Adsorption Complexes ◽

Supported Metal

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Computer simulation of fullerenes and fullerites

Theoretical and Computational Chemistry - Computational Materials Science ◽

10.1016/s1380-7323(04)80018-9 ◽

2004 ◽

pp. 85-118 ◽

Cited By ~ 1

Author(s):

Ilya Yanov ◽

Jerzy Leszczynski

Keyword(s):

Computer Simulation

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Chaos and chemistry: simple models to understand chaos in chemistry

Theoretical and Computational Chemistry - Computational Materials Science ◽

10.1016/s1380-7323(04)80015-3 ◽

2004 ◽

pp. 1-29

Author(s):

J.-M. André

Keyword(s):

Simple Models

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Reaction network analysis. The kinetics and mechanism of water-gas-shift reaction on Cu(111)

Theoretical and Computational Chemistry - Computational Materials Science ◽

10.1016/s1380-7323(04)80016-5 ◽

2004 ◽

pp. 31-65 ◽

Cited By ~ 1

Author(s):

I. Fishtik ◽

C.A. Callaghan ◽

R. Datta

Keyword(s):

Network Analysis ◽

Reaction Network ◽

Kinetics And Mechanism ◽

Water Gas Shift ◽

Water Gas Shift Reaction ◽

Shift Reaction ◽

Water Gas

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Theoretical and Computational Chemistry - Computational Materials ScienceLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Elsevier

Spin-polarised surfaces: Current state of Density Functional Theory investigations

Theoretical and Computational Chemistry

Front Matter

A theory-guided design of bimetallic nanoparticle catalysts for fuel cell applications

Copyright page

Many-body luminescence from highly excited quantum-confined structures

Supported metal species and adsorption complexes on metal oxides and in zeolites: Density functional cluster model studies

Computer simulation of fullerenes and fullerites

Chaos and chemistry: simple models to understand chaos in chemistry

Reaction network analysis. The kinetics and mechanism of water-gas-shift reaction on Cu(111)

Theoretical and Computational Chemistry - Computational Materials Science
Latest Publications