Please use this identifier to cite or link to this item: http://dspace.iitrpr.ac.in:8080/xmlui/handle/123456789/1607
Full metadata record
DC FieldValueLanguage
dc.contributor.authorKushwaha, A.-
dc.contributor.authorChhabra, S.-
dc.contributor.authorDhilip Kumar, T.J.-
dc.date.accessioned2020-12-10T04:53:19Z-
dc.date.available2020-12-10T04:53:19Z-
dc.date.issued2020-12-10-
dc.identifier.urihttp://localhost:8080/xmlui/handle/123456789/1607-
dc.description.abstractNCCNH+ 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.isoen_USen_US
dc.subjectCyanogenen_US
dc.subjectProtonen_US
dc.subjectab initioen_US
dc.titleInteraction of cyanogen (NCCN) with proton: A new ab initio potential energy surfaceen_US
dc.typeArticleen_US
Appears in Collections:Year-2020

Files in This Item:
File Description SizeFormat 
Full Text.pdf1.98 MBAdobe PDFView/Open    Request a copy


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.