Effects of methods and basis sets on calculation results using various solvation models
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| Date: | 2018 |
|---|---|
| Main Author: | V. M. Gunko |
| Format: | Article |
| Language: | English |
| Published: |
2018
|
| Series: | Chemistry, physics and technology of surface |
| Online Access: | http://jnas.nbuv.gov.ua/article/UJRN-0000857843 |
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| Journal Title: | Library portal of National Academy of Sciences of Ukraine | LibNAS |
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