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A reactive bond orbital investigation of the Diels-Alder reaction between 1, 3-butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density analyses.
Hajime Hirao
Published in:
J. Comput. Chem. (2008)
Keyphrases
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state transition
wireless sensor networks
statistical analysis
decomposition method
real world
hidden markov models
dynamic programming
state space
energy consumption