List of 3rd Posts (2019)

  1. Transition state search for reaction from AA to AB stacked bilayer graphene. by Lev Krainov
  2. Diffusion Pathways for Platinum Adatoms on a Platinum Surface by Charles Bigelow
  3. Possible transition processes of Pt adatom on Pt(100) surface by Hepeng Ye
  4. A brief introduction to the theory, parameterization and application of Projector Augmented Wave (PAW) datasets to plane wave DFT calculations by Brandon Bocklund
  5. Calculating transition state and activation energy of Ag diffusion via adjacent threefold sites on Cu(111) surface by Stephen Holoviak
  6. A brief introduction to the theory, parameterization and application of Projector Augmented Wave (PAW) datasets to plane wave DFT calculations by James M Goff
  7. Determination of the Activation Energy and Frequencies for the Diffusion of Ag on Cu(111) via Three-fold Hollow Sites by Angela Nguyen
  8. Band structure and density of states of Ag and Ag2O by Wilson Jonathan Yanez
  9. Calculation of Activation Energy and Frequencies for Ag Diffusion between Adjacent Threefold Sites on Cu (111) Surface. by Shyam Deo
  10. Evaluating activation barrier of Ag hopping on Cu(111) by Sharad Maheshwari
  11. Effects of vibrational frequencies of H adsorption on Cu(111) by Jordan Alysia Barr
  12. Study of O-H bond stretching frequency at different adsorption environments of OH adsorbed on Pt(111) by Hoang Tran
  13. Comparing Two Transition Processes for Platinum Adatom Diffusion on Pt (100) by Nathan Jay Mckee
  14. Determination of the transition state and the activation energy for Ag atom diffusion on Cu111 surface via the adjacent threefold sites by Junseok Kim
  15. HCN to CNH isomerization by Naveen Agrawal
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