| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9591793 | Journal of Molecular Structure: THEOCHEM | 2005 | 4 Pages |
Abstract
Effects of hydrogen bonds in an ammonium dihydrogenphosphate (ADP) crystallographic frame on its optical properties such as static polarizabilities and first hyperpolarizabilities, are quantitatively studied by quantum chemical calculations. Chemical bonding characteristics of the ADP crystal are analyzed by the bond valence model. The present results show that hydrogen bonds play an important role in crystal optical properties.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Dongfeng Xue, Henryk Ratajczak,