2026-10-14T11:48:22Z https://www.scidb.cn/oai

10.57760/sciencedb.j00213.00052 2024-09-13T11:43:17Z

2024-09-13 The data of the article "Quantum dynamics study of the reaction H+SiH using a new potential energy surface of SiH2（11A′）" doi:10.57760/sciencedb.j00213.00052 en This dataset mainly contains data on the SiH2 (11A ') potential energy surface and dynamic calculations made using this potential energy surface. A time-dependent wave packet method called Chebyshev wave packet evolution was used in the calculations.This dataset is divided into the following 6 files. File 1 is the data corresponding to the four two-dimensional graphs of the potential energy surface in reference 17, named as the English letters a (b, c, d). dat, corresponding to different collision angles. namely the data in Figure 1 of this article ( Surfer ). File 2 is the minimum energy at different angles drawn using the potential energy surface, named "collision angle. dat", namely the data in Figure 2 of this article. File 3 shows the probabilities calculated by CS and CC methods for different angular momentum quantum numbers, named "ppp-J number.dat", namely the data in Figure 3 of this article. File 4 is the probability contribution, named "collision energy. dat", which corresponds to Figure 4. File 5 is the integrated scattering cross-section diagram, named "xs-maximum angular momentum quantum number. dat", namely the data in Figure 5 of this article. File 6 is the thermal rate constant, named "rt-maximum angular momentum quantum number", namely the data in Figure 6 of this article.  reaction probability; integral cross section; rate constant Zhao Wen li Song Yuzhi Ma Chao Gao Feng Meng Qingtian PUBLIC https://creativecommons.org/licenses/by/4.0/ dataset http://www.doi.org/10.7498/aps.73.20240859 Science Data Bank