Charge distribution functions for characterization of complex systems
A set of characteristics calculated within the scope of quantum chemistry methods may be assigned to local ones changing from atom to atom in complex systems. Simple averaging of the related values gives rather poor characteristics of the systems because various fractions of certain atoms can have d...
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| Main Author: | |
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| Format: | Article |
| Language: | English |
| Published: |
Chuiko Institute of Surface Chemistry of NAS of Ukraine
2021-02-01
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| Series: | Хімія, фізика та технологія поверхні |
| Subjects: | |
| Online Access: | https://cpts.com.ua/index.php/cpts/article/view/573 |
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