Structural modeling of Ge6.25As32.5Se61.25 using a combination of reverse Monte Carlo and Ab initio molecular dynamics

Opletal, George, Drumm, Daniel, Wang, Rong P. and Russo, Salvy P. 2014, Structural modeling of Ge6.25As32.5Se61.25 using a combination of reverse Monte Carlo and Ab initio molecular dynamics, Journal of physical chemistry a, vol. 118, no. 26, pp. 4790-4796, doi: 10.1021/jp5017856.

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Title Structural modeling of Ge6.25As32.5Se61.25 using a combination of reverse Monte Carlo and Ab initio molecular dynamics
Author(s) Opletal, George
Drumm, DanielORCID iD for Drumm, Daniel orcid.org/0000-0001-5663-1387
Wang, Rong P.
Russo, Salvy P.
Journal name Journal of physical chemistry a
Volume number 118
Issue number 26
Start page 4790
End page 4796
Total pages 7
Publisher American Chemical Society
Place of publication Washington, D.C.
Publication date 2014-07
ISSN 1089-5639
1520-5215
Keyword(s) Science & Technology
Physical Sciences
Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
CHALCOGENIDE GLASSES
ELECTRON-GAS
PSEUDOPOTENTIALS
UNIQUENESS
METALS
ENERGY
CARBON
Language eng
DOI 10.1021/jp5017856
Field of Research 0307 Theoretical And Computational Chemistry
0202 Atomic, Molecular, Nuclear, Particle And Plasma Physics
0306 Physical Chemistry (Incl. Structural)
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©2014, American Chemical Society
Persistent URL http://hdl.handle.net/10536/DRO/DU:30110682

Document type: Journal Article
Collections: Faculty of Health
School of Medicine
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