ADF discussion list archives by thread

• [ADF-LIST] Calculation of NEXAFS of CO!   Fedor Goumans

• [ADF-LIST] How to calculate atomic energy in a molecule ?   bifadhlilah
• [ADF-LIST] How to calculate atomic energy in a molecule ?   Arslan Ullah
• [ADF-LIST] How to calculate atomic energy in a molecule ?   Kilian Batke
  • [ADF-LIST] How to calculate atomic energy in a molecule ?   Peter Yen
    • [ADF-LIST] How to calculate atomic energy in a molecule ?   Fedor Goumans
    • [ADF-LIST] How to calculate atomic energy in a molecule ?   Juan I. Rodriguez H.

• [ADF-LIST] AIMED calculation   Fedor Goumans
  • [ADF-LIST] AIMED calculation   Arslan Ullah

• [ADF-LIST] Reg: preparation energy in EDA calculation   mitoraj

• [ADF-LIST] ETS/NOCV analysis + imposing orbital occupation   Marc Raupach
• [ADF-LIST] ETS/NOCV analysis + imposing orbital occupation   mitoraj

• [ADF-LIST] Nanoparticles theoretical calculation   Alexei Yakovlev

• [ADF-LIST] Matrix from which Singlet-Singlet and Singlet-Triplet excitations are obtained   Erik van Lenthe

• [ADF-LIST] NMR shieldings   Erik van Lenthe
  • [ADF-LIST] NMR shieldings   Renan Vidal Viesser
  • [ADF-LIST] NMR shieldings   Alvaro Muñoz
    • [ADF-LIST] NMR shieldings   Stephan P. A. Sauer

• [ADF-LIST] EDA calculation about unrestricted open shell system   Erik van Lenthe

Last message date: Fri Sep 30 11:11:42 CEST 2016
Archived on: Tue Jan 9 09:38:53 CET 2018

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