شماره ركورد كنفرانس :
5328
عنوان مقاله :
Investigation of the Equilibrium Parameters of Vinyl Cyanide as an Astrochemical Molecule Using Quantum Calculations
پديدآورندگان :
Saboori Amleshi Arya arya.saboori.a@gmail.com Department of Chemistry, Shahid Bahonar University of Kerman, Kerman, Iran , Mohammadi Danial danialmoh14@gmail.com Department of Chemistry, Shahid Bahonar University of Kerman, Kerman, Iran , Dehestani Maryam dehestani@uk.ac.ir Department of Chemistry, Shahid Bahonar University of Kerman, Kerman, Iran
كليدواژه :
Astrochemistry , Computational Chemistry , Vinyl cyanide , Quantum Calculations , Molecular Spectroscopy
عنوان كنفرانس :
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
چكيده فارسي :
Vinyl cyanide, a molecule with planar geometry, has been presented as a strong candidate, forming Azotosomes on Titan’s hydrocarbon-abundant lakes and seas. To further investigate the parameters of vinyl cyanide, three computational approaches DFT, MP2,and CCSD(T) were implemented. The results with the highest accuracy concerning the experimental data presented in the literature and data obtained from Atacama Large Millimeter/submillimeter Array (ALMA) have been selected and presented.
