Please use this identifier to cite or link to this item: http://dspace.iitrpr.ac.in:8080/xmlui/handle/123456789/1607
Title: Interaction of cyanogen (NCCN) with proton: A new ab initio potential energy surface
Authors: Kushwaha, A.
Chhabra, S.
Dhilip Kumar, T.J.
Keywords: Cyanogen
Proton
ab initio
Issue Date: 10-Dec-2020
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.
URI: http://localhost:8080/xmlui/handle/123456789/1607
Appears in Collections:Year-2020

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