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DC Field | Value | Language |
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dc.contributor.author | Kushwaha, A. | - |
dc.contributor.author | Chhabra, S. | - |
dc.contributor.author | Dhilip Kumar, T.J. | - |
dc.date.accessioned | 2020-12-10T04:53:19Z | - |
dc.date.available | 2020-12-10T04:53:19Z | - |
dc.date.issued | 2020-12-10 | - |
dc.identifier.uri | http://localhost:8080/xmlui/handle/123456789/1607 | - |
dc.description.abstract | NCCNH+ is detected in interstellar medium recently. To characterize and study the collision dynamics, a new global potential energy surface for the NCCNH+ system has been generated using CCSD(T)/aug-cc-pVQZ method. NCCN–H+ has a large potential well of 7 eV indicating high stability of complex. The surface has been expanded in terms of Legendre polynomials. NCCN and NCCNH+ have been accurately characterized. The surface will be helpful for detailed understanding of quantum dynamics parameters such as ro-vibrational cross-sections and rate coefficients. The data obtained in this work will have perceptible impact to understand the cyanogen and protonated cyanogen chemistry in space. | en_US |
dc.language.iso | en_US | en_US |
dc.subject | Cyanogen | en_US |
dc.subject | Proton | en_US |
dc.subject | ab initio | en_US |
dc.title | Interaction of cyanogen (NCCN) with proton: A new ab initio potential energy surface | en_US |
dc.type | Article | en_US |
Appears in Collections: | Year-2020 |
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File | Description | Size | Format | |
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Full Text.pdf | 1.98 MB | Adobe PDF | View/Open Request a copy |
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