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- W2285920003 abstract "A theoretical study has been carried out of calculating dissociation energies and potential energy curves (Deng-Fan potential and Varshni potential) and molecular parameters of of ground state of diatomic molecules (LiH, H 2 , HF). Dissociation energies and potential energy curves depended on spectroscopic constants (ω e , ω e x e , r e , α, μ, β , ) and our results has been compared with experimental results. Molecular and electronic properties as ε HOMO , ε LUMO, ionization potentials (IP), electron affinities (EA) and binding energy was performed by using B3P86/6-311++g** method and Gaussian program 03, the results is well in a agreement with that of other researchers." @default.
- W2285920003 created "2016-06-24" @default.
- W2285920003 creator A5024330815 @default.
- W2285920003 date "2015-09-01" @default.
- W2285920003 modified "2023-10-18" @default.
- W2285920003 title "Theoretical Study for Potential Energy Curves, Dissociation Energy and Molecular Properties for (LiH, H<sub>2</sub>, HF) Molecules" @default.
- W2285920003 doi "https://doi.org/10.18052/www.scipress.com/ilcpa.59.137" @default.
- W2285920003 hasPublicationYear "2015" @default.
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