Possibility of the magnetic field effect on the thermal decomposition of N2O : Molecular dynamics simulation
Chemical Physics Letters Volume 338
Page 398-406
published_at 2001-04-27
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| File | |
| Title ( eng ) |
Possibility of the magnetic field effect on the thermal decomposition of N2O : Molecular dynamics simulation
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| Creator |
Kurushima Naotake
Kawano Akio
Saito Ko
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| Source Title |
Chemical Physics Letters
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| Volume | 338 |
| Start Page | 398 |
| End Page | 406 |
| Abstract |
Molecular dynamics (MD) model calculations for the thermal decomposition of N2O with external magnetic field were performed. The effect of external magnetic field was modeled by parameterization of the interaction term between the singlet and triplet potential surfaces. It was suggested that the increase of the rate constant by external magnetic field could be explained by means of the increase of interaction term which is dependent on the angle of the Jacobi coordinate.
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| NDC |
Chemistry [ 430 ]
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| Language |
eng
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| Resource Type | journal article |
| Date of Issued | 2001-04-27 |
| Rights |
Copyright (c) 2001 Elsevier Ltd.
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| Publish Type | Author’s Original |
| Access Rights | open access |
| Source Identifier |
[ISSN] 0009-2614
[DOI] 10.1016/S0009-2614(01)00288-3
[DOI] http://dx.doi.org/10.1016/S0009-2614(01)00288-3
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