| Issue |
A&A
Volume 575, March 2015
|
|
|---|---|---|
| Article Number | A11 | |
| Number of page(s) | 24 | |
| Section | Stellar atmospheres | |
| DOI | https://doi.org/10.1051/0004-6361/201424621 | |
| Published online | 11 February 2015 | |
Online material
Appendix A: Energy tables
In the following tables “Jeong’s Geometry” or similar refers to the original geometries found in Jeong et al. (2000) and “Bromley’s Geometry” or similar refers to the current (2012) most stable (TiO2)N cluster geometries.
DFT/B3LYP energies for Ti, O, and (TiO2)n.
Binding energies for (TiO2)n clusters.
Chemical information on the atoms Ti and O.
Appendix B: Thermochemical Tables of (TiO2)N
Calculated thermochemical values of TiO2.
Calculated thermochemical values of (TiO2)2.
Calculated thermochemical values of Jeong’s (TiO2)3.
Calculated thermochemical values of Bromley’s (TiO2)3.
Calculated thermochemical values of Jeong’s (TiO2)4.
Calculated thermochemical values of Bromley’s (TiO2)4.
Calculated thermochemical values of Jeong’s (TiO2)5.
Calculated thermochemical values of Bromley’s (TiO2)5.
Calculated thermochemical values of Jeong’s (TiO2)6.
Calculated thermochemical values of Bromley’s (TiO2)6.
Calculated thermochemical values of Bromley’s (TiO2)7.
Calculated thermochemical values of Bromley’s (TiO2)8.
Calculated thermochemical values of Bromley’s (TiO2)9.
Calculated thermochemical values of Bromley’s (TiO2)10.
© ESO, 2015
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