Potential Functions and Thermodynamic Properties of UC, UN, and UH
Potential energy surface scanning for UC, UN, and UH was performed by configuration interaction (CI), coupled cluster singles and doubles (CCSD) excitation, quadratic configuration interaction (QCISD (T)), and density functional theory PBE1 (DFT-PBE1) methods in coupling with the ECP80MWB_AVQZ + 2f...
| Published in: | Journal of Chemistry |
|---|---|
| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2020-01-01
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| Online Access: | http://dx.doi.org/10.1155/2020/7512737 |