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Tetrahelix Conforma...
Tetrahelix Conformations and Transformation Pathways in Pt1Pd12 Clusters
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- Pacheco-Contreras, R. (författare)
- Universidad de Sonora,University of Sonora
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- Dessens-Felix, M. (författare)
- Universidad de Sonora,University of Sonora
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- Borbon-Gonzalez, D. J. (författare)
- Universidad de Sonora,University of Sonora
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- Paz-Borbon, Lauro Oliver, 1982 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Johnston, R. L. (författare)
- University of Birmingham
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- Schon, J. C. (författare)
- Max Planck Gesellschaft zur Förderung der Wissenschaften e.V. (MPG),Max Planck Society for the Advancement of Science (MPG)
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- Posada-Amarillas, A. (författare)
- Universidad de Sonora,University of Sonora
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(creator_code:org_t)
- 2012-05-17
- 2012
- Engelska.
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Ingår i: Journal of Physical Chemistry A. - : American Chemical Society (ACS). - 1089-5639 .- 1520-5215. ; 116:21, s. 5235-5239
- Relaterad länk:
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http://dx.doi.org/10...
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https://doi.org/10.1...
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https://research.cha...
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Abstract
Ämnesord
Stäng
- The threshold method is used to explore the potential energy surface of the Pt1Pd12 bimetallic cluster, defined by the Gupta semiempirical potential. A set of helical structures, which follow a Bernal tetrahelix pattern, correspond to local minima for the Pt1Pd12 cluster, characterizing the region of the energy landscape where these structures are present. Both right-handed and left-handed chiral forms were discovered in our searches. Energetic and structural details of each of the tetrahelices are reported as well as the corresponding transition probabilities between these structures and with respect to the icosahedron-shaped global minimum structure via a disconnectivity graph analysis.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Nyckelord
- prediction
- systems
- crystalline
- order
- alloy clusters
- nanoparticles
- range
- nanoalloy clusters
- liquids
- energy landscapes
Publikations- och innehållstyp
- art (ämneskategori)
- ref (ämneskategori)
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