تقرير
Concept of chemical bond and aromaticity based on quantum information theory
| العنوان: | Concept of chemical bond and aromaticity based on quantum information theory |
|---|---|
| المؤلفون: | Szilvási, T., Barcza, G., Legeza, Ö. |
| سنة النشر: | 2015 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Physics - Chemical Physics, Condensed Matter - Strongly Correlated Electrons |
| الوصف: | Quantum information theory (QIT) emerged in physics as standard technique to extract relevant information from quantum systems. It has already contributed to the development of novel fields like quantum computing, quantum cryptography, and quantum complexity. This arises the question what information is stored according to QIT in molecules which are inherently quantum systems as well. Rigorous analysis of the central quantities of QIT on systematic series of molecules offered the introduction of the concept of chemical bond and aromaticity directly from physical principles and notions. We identify covalent bond, donor-acceptor dative bond, multiple bond, charge-shift bond, and aromaticity indicating unified picture of fundamental chemical models from ab initio. Comment: 7 pages, 3 figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/1509.04241 |
| رقم الأكسشن: | edsarx.1509.04241 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |