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Recommending Hartree–Fock Theory with London-Dispersion and Basis-Set-Superposition Corrections for the Optimization or Quantum Refinement of Protein Structures
Goerigk, Lars, Collyer, Charles A., Reimers, Jeffrey R.Volume:
118
Langue:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/jp510148h
Date:
December, 2014
Fichier:
PDF, 2.59 MB
english, 2014