# ADF discussion list archives by subject

**Starting:** *Thu Sep 1 19:07:35 CEST 2016*

**Ending:** *Fri Sep 30 11:11:42 CEST 2016*

**Messages:** 32

[ADF-LIST] ADFlist Digest, Vol 29, Issue 3
*Marcel Swart*
[ADF-LIST] AIMED calculation
*Arslan Ullah*
[ADF-LIST] AIMED calculation
*Fedor Goumans*
[ADF-LIST] AIMED calculation
*Arslan Ullah*
[ADF-LIST] Calculation of NEXAFS of CO!
*Biplob Nandy*
[ADF-LIST] Calculation of NEXAFS of CO!
*Fedor Goumans*
[ADF-LIST] EDA calculation about unrestricted open shell system
*zuoyinizyn*
[ADF-LIST] EDA calculation about unrestricted open shell system
*Erik van Lenthe*
[ADF-LIST] ETS/NOCV analysis + imposing orbital occupation
*Francesca Nunzi*
[ADF-LIST] ETS/NOCV analysis + imposing orbital occupation
*Marc Raupach*
[ADF-LIST] ETS/NOCV analysis + imposing orbital occupation
*mitoraj*
[ADF-LIST] How to calculate atomic energy in a molecule ?
*Peter Yen*
[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] Matrix from which Singlet-Singlet and Singlet-Triplet excitations are obtained
*Spyroulla Mavrommati*
[ADF-LIST] Matrix from which Singlet-Singlet and Singlet-Triplet excitations are obtained
*Erik van Lenthe*
[ADF-LIST] Mulliken overlap population
*Ilias Miroslav, doc. RNDr., PhD.*
[ADF-LIST] Nanoparticles theoretical calculation
*Jamuna Vaishnav*
[ADF-LIST] Nanoparticles theoretical calculation
*Alexei Yakovlev*
[ADF-LIST] NMR shieldings
*Dimitrova, Maria*
[ADF-LIST] NMR shieldings
*Erik van Lenthe*
[ADF-LIST] NMR shieldings
*Renan Vidal Viesser*
[ADF-LIST] NMR shieldings
*Alvaro MuĂ±oz*
[ADF-LIST] NMR shieldings
*Stephan P. A. Sauer*
[ADF-LIST] Reg: preparation energy in EDA calculation
*Christopher Jeyakumar T*
[ADF-LIST] Reg: preparation energy in EDA calculation
*mitoraj*
[ADF-LIST] singlet-triplet and singlet-singlet excitations
*Lorenzo D'Amore*
[ADF-LIST] Triplet SCF convergence
*Lennart Scharf*
**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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