2010
DOI: 10.1007/s11427-010-0028-1
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Life Science: Innovation and prosperity—commemorating the 60th anniversary of the Chinese Academy of Sciences

Abstract: Globally accurate full-dimensional ground state potential energy surface (PES) for the Cl( 2 P) + HCl → HCl + Cl( 2 P) reaction, a prototypical heavy-light-heavy abstract reaction, is developed using permutation invariant polynomial neural network (PIP-NN) method and embedded atom neural network (EANN) method, with the corresponding total root mean square error (RMSE) being only 0.043 and 0.056 kcal/mol, respectively.The saddle point of this reaction system is found to be nonlinear. A full-dimensional approxim… Show more

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Cited by 6 publications
(4 citation statements)
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References 171 publications
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“…For Salvia officinalis , the stems, many branches, leaf surfaces, and petioles are covered with white short villi. The fruits are smooth and hairless (4) ( Figure 1 c) [ 1 ].…”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…For Salvia officinalis , the stems, many branches, leaf surfaces, and petioles are covered with white short villi. The fruits are smooth and hairless (4) ( Figure 1 c) [ 1 ].…”
Section: Resultsmentioning
confidence: 99%
“…The Lamiaceae family is the sixth-largest family of flowering plants. It includes 10 subfamilies, 220 genera, and 3500 species [ 1 ]. Most of the species are mainly distributed in Asia, Europe, and Africa.…”
Section: Introductionmentioning
confidence: 99%
“…The soil fauna identification may vary among plots at the family or order levels. Thus, the order names in the samples were checked based on the Pictorial Keys to Soil Animals of China [40] and Catalogue of Life China [42]. Concurrently, all taxa were divided into four functional types based on their feeding guilds as follows: saprozoic, omnivores, phytophagous and predatory (Table 3) [31,43].…”
Section: Taxa and Environment Variablesmentioning
confidence: 99%
“…With the constant acceleration of railway, in order to adopt more advanced method in vehicle design and its maintenance, not only a large amount of advanced equipment is used in the procedure of research and manufacture [1] , the reliability of the EMU and its subsystem is also fully considered. Improving the EMU reliability is an important work in future passenger railway safety [2] .…”
Section: Forewordmentioning
confidence: 99%