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- W3088392907 endingPage "138013" @default.
- W3088392907 startingPage "138013" @default.
- W3088392907 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." @default.
- W3088392907 created "2020-10-01" @default.
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- W3088392907 date "2020-12-01" @default.
- W3088392907 modified "2023-09-25" @default.
- W3088392907 title "Interaction of cyanogen (NCCN) with proton: A new ab initio potential energy surface" @default.
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- W3088392907 doi "https://doi.org/10.1016/j.cplett.2020.138013" @default.
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