Vibrational anharmonic calculations in solution: Performance of various DFT approaches.

Didier Bégué Claude Pouchan

Published in: J. Comput. Chem. (2007)

Keyphrases

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