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The X1s Method for Accurate Bond Dissociation Energies |
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| Authors: | Jianming Wu Dr. Igor Ying Zhang Xin Xu Prof. |
| Affiliation: | State Key Laboratory of Physical Chemistry of Solid Surfaces, College for Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005 (China), Fax: (+86)?592‐218‐3047 |
| Abstract: | |
| Keywords: | bond dissociation energy density functional calculations heat of formation neural networks thermochemistry |