ELECTRONIC CONTROL OF MOLECULAR CONFIGURATION INSTABILITY VIA VIBRONIC COUPLING. PSEUDO JAHN-TELLER STABILIZATION OF VERTICALLY EXCITED STATES OF F2CO, N2H2 AND H2C2O MOLECULES
The pseudo Jahn-Teller effect is employed to explain the origin of distortions of carbonyl fluoride, diazene and ketene molecules in the lowest singlet and triplet excited states. The ground state and the excited electronic states of considered molecules were calculated by ab initio SCF CI method wi...
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| Format: | Article |
| Language: | English |
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Academy of Sciences of Moldova, Institute of Chemistry
2014-12-01
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| Series: | Chemistry Journal of Moldova: General, Industrial and Ecological Chemistry |
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| Online Access: | http://www.cjm.asm.md/sites/default/files/article_files/Chemistry%20nr%202%202014%20p%2074-79.pdf |