Data · dataset · 2024
The data of the article "Quantum dynamics study of the reaction H+SiH using a new potential energy surface of SiH2(11A′)"
Listed in ScienceDB
This dataset mainly contains data on the SiH2 (11A ') potential energy surface and dynamic calculations made using this potential energy surface.
Description
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.
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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.
Links
Where it is published
- DOI doi.org/10.57760/sciencedb.j00213.00052 ↗
DOI / persistent id · from scidb cn
Catalogue records · 1
- OAI-PMH record scidb.cn/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=10.57760%2… ↗
metadata API · from scidb cn
Topics
- From keywords
- Earth & Environmental Science · Engineering · Humanities · Life Sciences · Mathematics & Statistics · Social Science
- Inferred from text
- Chemical engineering 70%
Provenance · 1 source records, 12 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ScienceDB | 10.57760/sciencedb.j00213.00052 | 11 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].anzsrc:group:4004 | enrichment · scidb cn | taxonomy-embedding@1.0.0 | title+keywords+description (70%) |
| concepts[field].local:field:earth-environmental | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:engineering | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:humanities | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:mathematics-statistics | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:social-science | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| description | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/description |
| license | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/rights |
| publication_date | source · scidb cn | connector:scidb_cn@1.0.0 | |
| title | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/title |