Псевдоефект Яна–Теллера як причина тунелювання протона в кластерах води, що містять катіон Цунделя
The pseudo Jahn–Teller (PJT) origin of the proton transfer barrier in the Zundel cation at different O–O distances and in an H5O2+(H2O)4 cluster is revealed by means of ab initio calculations of their electronic structures and the adiabatic potential energy curves. The vibronic constants i...
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| Date: | 2021 |
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| Main Authors: | , , |
| Format: | Article |
| Language: | English |
| Published: |
Publishing house "Academperiodika"
2021
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| Subjects: | |
| Online Access: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2021155 |
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| Journal Title: | Ukrainian Journal of Physics |