Do the basic crystal chemistry principles agree with a plethora of recent quantum chemistry data?
The main descriptors of chemical bonding such as bond order (BO) and electron density at the bond critical point, ρc, are customarily used to understand the crystal and electronic structure of materials, as well as to predict their reactivity and stability. They can be obtained in the framework of c...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2018-09-01
|
| Series: | IUCrJ |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2052252518008254 |