Chemical tuning of the thermal decomposition temperature of inorganic hydrides: Computational aspects
We show that chosen computationally-derived molecular features along several atomic descriptors of the metallic center, as well as the value of the standard redox potential of the metal center, E0, allow for the semiquantitative estimate of the ease of metal-hydrogen bond rupture for binary and mult...
| প্রধান লেখক: | , |
|---|---|
| বিন্যাস: | Conference item |
| প্রকাশিত: |
2005
|