Interaction of cyanogen (NCCN) with proton: A new ab initio potential energy surface

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