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Density Functional Theory and Practice Course

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  • Posts about H on Cu(111) (2018)
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Posts about H on Cu(111) (2018)

  1. Exploring the normal modes of gaseous ammonia by Jonathan Schirmer
  2. Convergence exploration for k points and cutoff energy based on the model of a hydrogen atom on Cu(111) surface HCP site by Ran Chen
  3. Calculating the Barrier of Vinyl Alcohol Tautomerization to Acetaldehyde by Bryan William Brasile
  4. Ab initio calculations to determine the Li - LiH phase diagram by Mohamed Mauroof Fadhi Umar
  5. Hopping of Hydrogen on the Surface of Cu(111): A Transition State Study by Garrett DuCharme
  6. ab initio Phase Diagram for LiH and Li by Mark Bronson
  7. Kinetic Monte Carlo for H2 Langmuir Adsorption-Desorption by Haoran He
  8. AB Initio Phase diagram for LiH and Li by Tongzhou Zhao
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Recent Posts

  • Hopping Diffusion Barrier for Silver on the 100 Facet
  • Effect of Te substitution on band structure and density of states in FeSe with PbO structure
  • 1-D band structure of polythiophene using different functionals
  • Band structure of bulk and monolayer WSe2
  • Surface diffusion of lithium adatom on Li 001 surface via hopping and substitution

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