A neural network potential energy surface for the F + H2O ↔ HF + OH reaction and quantum dynamics study of isotopic effect
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A global potential energy surface for the F + H2O ↔ HF + OH reaction has been constructed using the neural networks method based on ~24,000 ab initio energies calculated...
2011 ◽
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pp. 104314
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2014 ◽
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2001 ◽
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2017 ◽
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2006 ◽
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2003 ◽
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2018 ◽
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pp. 1039-1050
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2016 ◽
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