Mapping the potential energy landscapes of selenium clusters
Source abstract
Abstract
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.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Spectroscopy and Quantum Chemical Studies · Material Dynamics and Properties · Phase-change materials and chalcogenides
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References (22)
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1. Wales · J. Chem. Phys. · 1994 · 101 · 375010.1063/1.467559 ↗
2. Miller · J. Chem. Phys. · 1999 · 110 · 32810.1063/1.478067 ↗
3. Murrell · J. Chem. Soc., Faraday Trans. 2 · 1968 · 64 · 37110.1039/tf9686400371 ↗
4. Wales · 2003
5. Debenedetti · 1996
6. Goldstein · J. Chem. Phys. · 1969 · 51 · 372810.1063/1.1672587 ↗
7. Stillinger · J. Chem. Phys. · 1988 · 88 · 781810.1063/1.454295 ↗
8. Debenedetti · J. Phys. Chem. B · 1999 · 103 · 739010.1021/jp991384m ↗
9. Debenedetti · Nature · 2001 · 410 · 25910.1038/35065704 ↗
10. Stillinger · J. Chem. Phys. · 2002 · 116 · 335310.1063/1.1434997 ↗
11. Middleton · Phys. Rev. B · 2001 · 64 · 02420510.1103/PhysRevB.64.024205 ↗
12. Hernández-Rojas · J. Non-Cryst. Solids · 2004 · 336 · 21810.1016/j.jnoncrysol.2004.01.012 ↗
13. Mauro · J. Am. Ceram. Soc. · 2006 · 89 · 109110.1111/j.1551-2916.2005.00803.x ↗
14. Fletcher · 1980 · vol. 1
15. Schlegel · Adv. Chem. Phys. · 1987 · 67 · 249
16. Mauro · J. Phys. Chem. A · 2005 · 109 · 957810.1021/jp053581t ↗
17. Mauro · Phys. Rev. A · 2006 · 73 · 02320210.1103/PhysRevA.73.023202 ↗
18. Mauro · Phys. Rev. B · 2005 · 71 · 21410510.1103/PhysRevB.71.214105 ↗
19. Oligschleger · Phys. Rev. B · 1996 · 53 · 616510.1103/PhysRevB.53.6165 ↗
20. M.A. Miller, .
21. Kokalj · Comput. Mater. Sci. · 2003 · 28 · 15510.1016/S0927-0256(03)00104-6 ↗
22. Hohl · Chem. Phys. Lett. · 1987 · 139 · 54010.1016/0009-2614(87)87339-6 ↗