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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. 

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Catalogue records · 1

Topics

Inferred from text
Chemical engineering 70%
Provenance · 1 source records, 12 field assertions
SourceKeyLast seenRaw
ScienceDB10.57760/sciencedb.j00213.0005211 d agoJSON v1
FieldAssertionExtractorEvidence
access_levelsource · scidb cnconnector:scidb_cn@1.0.0
concepts[field].anzsrc:group:4004enrichment · scidb cntaxonomy-embedding@1.0.0title+keywords+description (70%)
concepts[field].local:field:earth-environmentalmapping · scidb cnconnector:scidb_cn@1.0.0
concepts[field].local:field:engineeringmapping · scidb cnconnector:scidb_cn@1.0.0
concepts[field].local:field:humanitiesmapping · scidb cnconnector:scidb_cn@1.0.0
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concepts[field].local:field:mathematics-statisticsmapping · scidb cnconnector:scidb_cn@1.0.0
concepts[field].local:field:social-sciencemapping · scidb cnconnector:scidb_cn@1.0.0
descriptionsource · scidb cnconnector:scidb_cn@1.0.0/metadata/dc/description
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