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Benchmarking of classical force fields by ab initio calculations of atomic clusters: Ti and Ni–Ti case

  • Published:2013-10 Issue: Volume:1021 Page:101-108
  • ISSN:2210-271X
  • Container-title:Computational and Theoretical Chemistry
  • language:en
  • Short-container-title:Computational and Theoretical Chemistry

Author:

Verkhovtsev Alexey V.,Sushko Gennady B.,Yakubovich Alexander V.,Solov’yov Andrey V.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference43 articles.

1. Handbook of Nanophysics: Clusters and Fullerenes;Sattler,2010

2. Bimetallic Clusters, Structure and Properties of Atomic Nanoclusters;Alonso,2005

3. Nanoalloys: from theory to applications of alloy clusters and nanoparticles;Ferrando;Chem. Rev.,2008

4. J.R. Davis, Handbook of Materials for Medical Devices, ASM International, Russell Township, 2003.

5. Implants for surgery a survey on metallic materials;Kramer,2005

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4. INVESTIGATION OF THE BOMBARDMENT OF LOW-ENERGY ISOMERS OF Tin CLUSTERS (n = 7, 13, 15, 19) BY TITANIUM ATOMS: MOLECULAR DYNAMICS SIMULATION;Physical and Chemical Aspects of the Study of Clusters, Nanostructures and Nanomaterials;2018-12-15

5. Multiscale Modelling of Molecular Processes for Biomedical and Nanotechnology Applications with MBN Explorer;Nanoscale Insights into Ion-Beam Cancer Therapy;2016-12-08
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