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Transition metal dimers as potential molecular magnets: A challenge to computational chemistry.
Daniel Fritsch
Klaus Koepernik
Manuel Richter
Helmut Eschrig
Published in:
J. Comput. Chem. (2008)
Keyphrases
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computational chemistry
three dimensional
magnetic field
data sets
databases
neural network
machine learning
genetic algorithm
data structure
search algorithm
probability distribution
molecular structure