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 Date: 2010-12-19 08:35:05Science Neural networks Theoretical chemistry Density functional theory Hybrid functional Artificial neural network Computational chemistry Gibbs free energy Chemistry Computational neuroscience Physics |
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Molecular Simulation, Vol[removed]), 15 January 2004, pp. 9–15 A Combined First-principles Calculation and Neural Networks Correction Approach for Evaluating Gibbs Energy of Formation XIUJUNG WANG, LIHONG HU, LAIHO WONG