Núria López and Group: Difference between revisions
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Revision as of 10:01, 12 March 2010
go back to Main Page, Computational Resources, Chemistry & More, Group Pages
- MatWeb Conversions
A useful unit conversor: http://www.matweb.com/tools/conversion.asp
- Cohesive Energies:
Cohesive Energies data in a pdf document: File:Cohesive Energies.pdf
- Platinum Group Metals properties
Lots of data on metals and alloys: [1] [2]
- Crystal structures:
Calculated Cell parameters for some transition and noble metals.
Crystal lattice prototypes [3]
Rutile related structures
- List of very useful papers
Fundamentals of Plane Wave calculations: [4] Test on functionals: [5] CI-NEB: d-band model: [6] Universality and related concepts: [7] [8] [9] Bayesian: [10]
- Computational scaling