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scientific article; zbMATH DE number 953090

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Publication:4718023
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zbMATH Open0861.73064MaRDI QIDQ4718023

Thomas Frauenheim, Frank Weich, Thomas Köhler, Dirk Porezag

Publication date: 21 May 1997



Title of this publication is not available (Why is that?)


zbMATH Keywords

polymerizationtotal energiesamorphous carbondiamond surface reconstructionsheteronuclear interactionsinteratomic forcesparameter-free density-functional-based nonorthogonal tight-binding scheme


Mathematics Subject Classification ID

Micromechanics of solids (74M25) Micromechanical theories (74A60) Statistical mechanics of solids (82D20)



Related Items (1)

Computational Science - ICCS 2004


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