Computational Materials Chemistry
Latest Publications

TOTAL DOCUMENTS

8

(FIVE YEARS 0)

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1

(FIVE YEARS 0)

Published By Kluwer Academic Publishers

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Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Theoretical Studies of Growth Reactions on Diamond Surfaces

Computational Materials Chemistry ◽

10.1007/1-4020-2117-8_7 ◽

2005 ◽

pp. 266-307 ◽

Cited By ~ 1

Author(s):

P. Zapol ◽

L. A. Curtiss ◽

H. Tamura ◽

M. S. Gordon

Keyword(s):

Theoretical Studies ◽

Diamond Surfaces

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Theoretical Studies of Silicon Surface Reactions with Main Group Absorbates

Computational Materials Chemistry ◽

10.1007/1-4020-2117-8_4 ◽

2005 ◽

pp. 125-190 ◽

Cited By ~ 1

Author(s):

C. H. Choi ◽

M. S. Gordon

Keyword(s):

Silicon Surface ◽

Surface Reactions ◽

Main Group ◽

Theoretical Studies

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Using Quantum Calculations of NMR Properties to Elucidate Local and Mid-Range Structures in Amorphous Oxides, Nitrides and Aluminosilicates

Computational Materials Chemistry ◽

10.1007/1-4020-2117-8_1 ◽

2005 ◽

pp. 1-34

Author(s):

J. A. Tossell

Keyword(s):

Quantum Calculations ◽

Amorphous Oxides ◽

Nmr Properties

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Charge Injection in Molecular Devices — Order Effects

Computational Materials Chemistry ◽

10.1007/1-4020-2117-8_8 ◽

2005 ◽

pp. 308-367

Author(s):

A. L. Burin ◽

M. A. Ratner

Keyword(s):

Charge Injection ◽

Molecular Devices ◽

Order Effects

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Nanostructure Formation and Relaxation in Metal(100) Homoepitaxial Thin Films: Atomistic and Continuum Modeling

Computational Materials Chemistry ◽

10.1007/1-4020-2117-8_3 ◽

2005 ◽

pp. 91-124

Author(s):

K.J. Caspersen ◽

Da-Jiang Liu ◽

M.C. Bartelt ◽

C.R. Stoldt ◽

A.R. Layson ◽

...

Keyword(s):

Thin Films ◽

Continuum Modeling ◽

Nanostructure Formation

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Molecular Modeling of Poly(Ethylene Oxide) Melts and Poly(Ethylene Oxide)-Based Polymer Electrolytes

Computational Materials Chemistry ◽

10.1007/1-4020-2117-8_2 ◽

2005 ◽

pp. 35-90 ◽

Cited By ~ 1

Author(s):

O. Borodin ◽

G. D. Smith

Keyword(s):

Molecular Modeling ◽

Ethylene Oxide ◽

Polymer Electrolytes ◽

Poly Ethylene Oxide ◽

Poly Ethylene ◽

Oxide Melts

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Theoretical Methods for Modeling Chemical Processes on Semiconductor Surfaces

Computational Materials Chemistry ◽

10.1007/1-4020-2117-8_6 ◽

2005 ◽

pp. 246-265

Author(s):

J. A. Steckel ◽

K. D. Jordan

Keyword(s):

Chemical Processes ◽

Semiconductor Surfaces ◽

Theoretical Methods

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Quantum-Chemical Studies of Molecular Reactivity in Nanoporous Materials

Computational Materials Chemistry ◽

10.1007/1-4020-2117-8_5 ◽

2005 ◽

pp. 191-245 ◽

Cited By ~ 2

Author(s):

Stanislaus A. Zygmunt ◽

Larry A. Curtiss

Keyword(s):

Quantum Chemical ◽

Nanoporous Materials ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Molecular Reactivity

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