Mapping the potential energy landscapes of selenium clusters

John C. Mauro; Roger J. Loucks; Jitendra Balakrishnan; Arun K. Varshneya

doi:10.1016/j.jnoncrysol.2006.09.062

Mapping the potential energy landscapes of selenium clusters

John C. Mauro, Roger J. Loucks, Jitendra Balakrishnan, Arun K. Varshneya

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Abstract

We describe the potential energy landscapes of Se₃-Se₈ clusters using disconnectivity graphs. Inherent structures include both chain and ring configurations, with rings dominating in the larger clusters. Transition points are located using an eigenvector-following technique, which is of general applicability in mapping multi-dimensional energy landscapes.

Original language	English (US)
Pages (from-to)	1268-1273
Number of pages	6
Journal	Journal of Non-Crystalline Solids
Volume	353
Issue number	13-15 SPEC. ISS.
DOIs	https://doi.org/10.1016/j.jnoncrysol.2006.09.062
State	Published - May 15 2007

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Materials Chemistry

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10.1016/j.jnoncrysol.2006.09.062

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title = "Mapping the potential energy landscapes of selenium clusters",

abstract = "We describe the potential energy landscapes of Se3-Se8 clusters using disconnectivity graphs. Inherent structures include both chain and ring configurations, with rings dominating in the larger clusters. Transition points are located using an eigenvector-following technique, which is of general applicability in mapping multi-dimensional energy landscapes.",

author = "Mauro, {John C.} and Loucks, {Roger J.} and Jitendra Balakrishnan and Varshneya, {Arun K.}",

year = "2007",

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AU - Mauro, John C.

AU - Loucks, Roger J.

AU - Balakrishnan, Jitendra

AU - Varshneya, Arun K.

PY - 2007/5/15

Y1 - 2007/5/15

N2 - We describe the potential energy landscapes of Se3-Se8 clusters using disconnectivity graphs. Inherent structures include both chain and ring configurations, with rings dominating in the larger clusters. Transition points are located using an eigenvector-following technique, which is of general applicability in mapping multi-dimensional energy landscapes.

AB - We describe the potential energy landscapes of Se3-Se8 clusters using disconnectivity graphs. Inherent structures include both chain and ring configurations, with rings dominating in the larger clusters. Transition points are located using an eigenvector-following technique, which is of general applicability in mapping multi-dimensional energy landscapes.

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M3 - Article

AN - SCOPUS:34147137666

SN - 0022-3093

VL - 353

SP - 1268

EP - 1273

JO - Journal of Non-Crystalline Solids

JF - Journal of Non-Crystalline Solids

IS - 13-15 SPEC. ISS.

ER -

Mapping the potential energy landscapes of selenium clusters

Abstract

All Science Journal Classification (ASJC) codes

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