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A CASSCF/CASPT2 insight into excited-state intramolecular proton transfer of four imidazole derivatives.
Yuanyuan Li
Li Wang
Xugeng Guo
Jinglai Zhang
Published in:
J. Comput. Chem. (2015)
Keyphrases
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state space
genetic algorithm
neural network
real world
information retrieval
feature selection
multiscale