Structure and Vibrational study of Entrance Channel of Monomer C2H2+ Cl via ab initio calculation

Theoretical calculations are reported to predict the geometrical structures and IR vibrational frequencies of entrance channel of C2H2+Cl interaction in the ground state. The calculations are performed via Ab initio calculations at perturbation theory (MP2) with Dunning correction-consistent basis...

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Bibliographic Details
Main Author: Media Ismael Sulaiman
Format: Article
Language:English
Published: Tikrit University 2020-12-01
Series:Tikrit Journal of Pure Science
Subjects:
Online Access:https://tjpsj.org/index.php/tjps/article/view/295
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