Computer Simulation of Materials at Atomic Level
Latest Publications

TOTAL DOCUMENTS

(FIVE YEARS 0)

H-INDEX

(FIVE YEARS 0)

Published By Wiley-VCH Verlag Gmbh & Co. Kgaa

9783527603107, 9783527402908

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Calculation of Electronic States in Semiconductor Heterostructures with an Empirical spds* Tight-Binding Model

Computer Simulation of Materials at Atomic Level ◽

10.1002/3527603107.ch22 ◽

2005 ◽

pp. 449-460

Author(s):

R. Scholz ◽

J.-M. Jancu ◽

F. Beltram ◽

F. Bassani

Keyword(s):

Tight Binding ◽

Electronic States ◽

Semiconductor Heterostructures ◽

Tight Binding Model ◽

Binding Model

Download Full-text

Subject Index

Computer Simulation of Materials at Atomic Level ◽

10.1002/3527603107.indsub ◽

2005 ◽

pp. 723-727

Download Full-text

From Band Structures to Linear and Nonlinear Optical Spectra in Semiconductors

Computer Simulation of Materials at Atomic Level ◽

10.1002/3527603107.ch30 ◽

2005 ◽

pp. 599-640

Author(s):

W. R. L. Lambrecht ◽

S. N. Rashkeev

Keyword(s):

Nonlinear Optical ◽

Optical Spectra ◽

Band Structures ◽

Linear And Nonlinear

Download Full-text

Structure and Dynamics of Point Defects in Crystalline Silicon

Computer Simulation of Materials at Atomic Level ◽

10.1002/3527603107.ch25 ◽

2005 ◽

pp. 513-532

Author(s):

S. K. Estreicher

Keyword(s):

Point Defects ◽

Crystalline Silicon ◽

Structure And Dynamics

Download Full-text

Front Matter

Computer Simulation of Materials at Atomic Level ◽

10.1002/3527603107.fmatter ◽

2005 ◽

pp. 1-7

Download Full-text

Comparison of Simulation Methods for Organic Molecular System: Porphyrin Stacks

Computer Simulation of Materials at Atomic Level ◽

10.1002/3527603107.ch28 ◽

2005 ◽

pp. 565-575

Author(s):

F. Della Sala ◽

J. Widany ◽

Th. Frauenheim

Keyword(s):

Molecular System ◽

Simulation Methods

Download Full-text

Structure and Isomerization in Alkali Halide Clusters

Computer Simulation of Materials at Atomic Level ◽

10.1002/3527603107.ch14 ◽

2005 ◽

pp. 323-334

Author(s):

C. Ashman ◽

S. N. Khanna ◽

M. R. Pederson

Keyword(s):

Alkali Halide

Download Full-text

Modelling Carbon for Industry: Radiolytic Oxidation

Computer Simulation of Materials at Atomic Level ◽

10.1002/3527603107.ch21 ◽

2005 ◽

pp. 429-447

Author(s):

P. Leary ◽

C. P. Ewels ◽

M. I. Heggie ◽

R. Jones ◽

P. R. Briddon

Keyword(s):

Radiolytic Oxidation

Download Full-text

Ab initio Monte Carlo Investigations of Small Lithium Clusters

Computer Simulation of Materials at Atomic Level ◽

10.1002/3527603107.ch13 ◽

2005 ◽

pp. 311-322

Author(s):

S. Srinivas ◽

J. Jellinek

Keyword(s):

Monte Carlo ◽

Ab Initio ◽

Lithium Clusters

Download Full-text

Quantum Mechanical Investigations on the Insertion Compounds of Early Transition Metal Oxides

Computer Simulation of Materials at Atomic Level ◽

10.1002/3527603107.ch29 ◽

2005 ◽

pp. 577-598

Author(s):

F. Corà ◽

C.R.A. Catlow

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

Quantum Mechanical ◽

Early Transition Metal ◽

Insertion Compounds ◽

Early Transition

Download Full-text

Computer Simulation of Materials at Atomic LevelLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Wiley-VCH Verlag Gmbh & Co. Kgaa

Calculation of Electronic States in Semiconductor Heterostructures with an Empirical spds* Tight-Binding Model

Subject Index

From Band Structures to Linear and Nonlinear Optical Spectra in Semiconductors

Structure and Dynamics of Point Defects in Crystalline Silicon

Front Matter

Comparison of Simulation Methods for Organic Molecular System: Porphyrin Stacks

Structure and Isomerization in Alkali Halide Clusters

Modelling Carbon for Industry: Radiolytic Oxidation

Ab initio Monte Carlo Investigations of Small Lithium Clusters

Quantum Mechanical Investigations on the Insertion Compounds of Early Transition Metal Oxides

Computer Simulation of Materials at Atomic Level
Latest Publications