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[DFT15poll] Annual popularity poll is ... (No replies)

marcelswart
10 years ago
marcelswart 10 years ago

The 2015 edition of the Annual DFT Popularity Poll HAS STARTED. 

Your preferences for the poll can be entered at http://www.surveymoz.com/s/132915FEXPY/

Background information is here: http://www.marcelswart.eu/dft-poll!

This year's edition will mark a change with respect to the previous editions:
a THIRD question is now added where participants can indicate
for each functional on the list (both Primera and Segona Divisió 2015),
what is their preference for a total of 11 properties (see also Rule #8, http://www.marcelswart.eu/dft-poll/rules.html):

• Reaction barriers
• Vibrational frequencies, Normal modes, Thermodynamics
• Dispersion energy, π-π stacking
• Hydrogen bonds
• Excitation energies and chiroptical properties
• Main group elements
• Transition metals
• Relativistic elements
• NMR shieldings, NMR couplings
• Geometries
• Spin-state splittings
For each of these properties one can choose between the following five preferences:
++ Love it ; + Like it ; 0 Neutral ; - Dislike it ; -- Hate it
(only for the THIRD question)

Best regards,

Marcel Swart
Matthias Bickelhaupt
Miquel Duran




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Ab initio (from electronic structure) calculation of complex processes in materials