The theoretical study of the ground and excited states properties for F2BO and H2BO free radicals
The symmetry-adapted-cluster (SAC)/symmetry-adapted-cluster configuration interaction (SAC-CI) method has been applied to study the ground and low-lying excited states properties of F2BO and H2BO free radicals. The geometry of the ground states for F2BO and H2BO are optimized by SAC method with the...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2018-05-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5024407 |