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Vibrational anharmonic calculations in solution: Performance of various DFT approaches.
Didier Bégué
Claude Pouchan
Published in:
J. Comput. Chem. (2007)
Keyphrases
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solution quality
strengths and weaknesses
closed form
alternative approaches
neural network
website
database systems
objective function
multi agent
optimal solution
evolutionary algorithm
machine learning algorithms
frequency domain
machine learning methods