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DFT potentials from a chemical perspective: Anatomy of electron (de)localization in molecules and crystals.
Elena O. Levina
Vladimir G. Tsirelson
Published in:
J. Comput. Chem. (2023)
Keyphrases
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chemical compounds
chemical reactions
viewpoint
high order
higher order
frequency domain
data sets
three dimensional
medical images
molecular interactions
left atrium
virtual screening
optic disc
localization algorithm
object localization
mobile robot
genetic algorithm
neural network