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Science / Neural networks / Theoretical chemistry / Density functional theory / Hybrid functional / Artificial neural network / Computational chemistry / Gibbs free energy / Chemistry / Computational neuroscience / Physics


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
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Document Date: 2010-12-19 08:35:05


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Prentice-Hall / Neural Networks / Gaussian Inc. / Ethyl / CRC Press / McGraw-Hill / Oxford University Press / S. (1999) Neural Networks / Taylor & Francis Ltd / /

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Taiwan / United Kingdom / /

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National Institute of Standards and Technology / University of Hong Kong / Prentice Hall / Mill Valley / The University of Hong Kong / University Science Books / /

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heavy element containing systems / dissociation energy / metal ions / ionization energy / indispensable research tools / energy / chemical shift prediction / large systems / chemical shifts / physical and chemical structures / large molecular systems / chemical structure / larger systems / /

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Formation XIUJUNG WANG / LIHONG HU / LAIHO WONG and GUANHUA CHEN* Department of Chemistry / Committee for Research and Conference Grants / American Chemical Society / National Institute of Standards and Technology / Hong Kong Research Grant Council / Comprehensive Foundation / University of Hong Kong / Oxford University / /

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Fox / McDonald / Keith / Frurip / John Wiley / /

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absolute values *Corresponding author / D.J. / Dean / /

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Acetic acid / treatment / /

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Sussex / New York / Pennsylvania / New Hampshire / /

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Computational Chemistry / Thermodynamics / neural network / Simulation / /

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