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Complex hydrogen bonding patterns in bis(2-aminopyrimidinium) selenate monohydrate. Interrelation among graph-set descriptors
| Content Provider | Paperity |
|---|---|
| Author | Daszkiewicz, Marek |
| Abstract | The hydrogen bonding patterns can be described on the basis of the graph-set approach. Since a set of individual hydrogen bonds create the hydrogen bonding pattern, these individuals can be described independently by the graph-set descriptors. The descriptors can be added to each other resulting in a descriptor of the pattern. Algebraic equations based on the graph-set descriptors are given. Alternatively, the hydrogen bonding pattern can be considered as an ordered molecular assembly. Therefore, the proper elementary graph-set descriptor, E d a (n), associated with the molecules can be utilized to obtain a descriptor of hydrogen bonding patterns. The procedure of the appropriate graph-set summation, leading to the complex pattern, is described. |
| Starting Page | 307 |
| Ending Page | 313 |
| File Format | HTM / HTML |
| ISSN | 10400400 |
| DOI | 10.1007/s11224-011-9872-2 |
| Issue Number | 2 |
| Journal | Structural Chemistry |
| Volume Number | 23 |
| e-ISSN | 15729001 |
| Language | English |
| Publisher | Springer US |
| Publisher Date | 2012-04-01 |
| Access Restriction | Open |
| Subject Keyword | Graph sum Graph-set analysis Hydrogen bonding pattern Crystal structure |
| Content Type | Text |
| Resource Type | Article |
| Subject | Physical and Theoretical Chemistry Condensed Matter Physics |
