Swart Lab - Theoretical Chemistry : dft-poll/index.html

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Blog entry Nature Chemistry

functionals

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organizers

Marcel Swart
Matthias Bickelhaupt
Miquel Duran

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We are using FillOut for our poll

DFT Popularity Poll 2025 (Jun.1-Oct.1)

The 2025 edition of the Density Functional Popularity Poll will soon open: https://dftpoll.fillout.com/2025
If you want to propose new density functionals to be included (max. 8 slots available): Send me a message.

News items

News items:
[2024] [2023] [2022] [2021] [2020] [2019] [2018] [2017] [2016] [2015] [2014] [2013] [2012] [2011] [2010]

Full results for Primera and Segona Divisió

Primera divisió
[2024] [2023] [2022] [2021] [2020] [2019] [2018] [2017] [2016] [2015] [2014] [2013] [2012] [2011] [2010]
Segona divisió
[2024] [2023] [2022] [2021] [2020] [2019] [2018] [2017] [2016] [2015] [2014] [2013] [2012] [2011] [2010]

Full results for density functionals

Alphabetical order [data]
Averages [2010-2024]
PACO 201x coefficients [data]

Full results for Third Question (2015-2018)

Reaction barriers [2018] [2017] [2016] [2015]
Normal modes analysis [2018] [2017] [2016] [2015]
Chiroptical properties [2018] [2017] [2016] [2015]
Hydrogen bonds [2018] [2017] [2016] [2015]
Excitation energies [2018] [2017] [2016] [2015]
Main group elements [2018] [2017] [2016] [2015]
Transition metals [2018] [2017] [2016] [2015]
Relativistic elements [2018] [2017] [2016] [2015]
NMR shieldings, NMR couplings [2018] [2017] [2016] [2015]
Geometries [2018] [2017] [2016] [2015]
Spin-state splittings [2018] [2017] [2016] [2015]