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Stephen's user avatar
Stephen's user avatar
Stephen
  • Member for 1 year, 8 months
  • Last seen more than a month ago
2 votes
Accepted

In a plane-wave code, does the Fermi energy depend on the pseudopotentials used?

4 votes
Accepted

What is the artifact of the Pt valence density referred to in example04 of the Environ module?

12 votes
Accepted

Why are ions in water not paired?

5 votes
Accepted

Which properties would you study to evaluate spatial confinement of a molecule

3 votes
Accepted

Is hexaamminecobalt(III) chloride thermodynamically stable in pure water?

7 votes
Accepted

Which equation makes it possible to calculate the forces of attraction between a surface and molecules?

7 votes
Accepted

What is the fundamental difference between the Ising and Potts models?

2 votes

Details about ZPE and entropy of adsorbates

4 votes
Accepted

Need help about how I can get/generate semicore pseudopotentials to be used in Quantum Espresso DFT?

3 votes

Grand potential vs. Gibbs free energy of adsorption for ab initio thermodynamics

1 vote

Compute solvation energies with (ESM) RISM-SCF