Theoretical and Experimental Salvation of Nano Copper Sulfate Interacted with 18-crown-6 in Water
Theoretical study of the electronic structure, NonLinear Optical (NLO) properties, and natural bonding orbital (NBO) analysis of 18-crown-6were investigated using Density Functional Theory DFT) calculations at the B3LYP/6-311G (d,p) level of theory. The optimized structure is a nonlinear compound in...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR
2020-02-01
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| Series: | Iranian Journal of Chemistry & Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.ijcce.ac.ir/article_34226_891e274f7210059d6a19729ad1b05dc2.pdf |