Please use this identifier to cite or link to this item:
http://nopr.niscpr.res.in/handle/123456789/13358| Title: | Hydrogen storage: An overview with current insights based on a conceptual DFT approach |
| Authors: | Chakraborty, Arindam Duley, Soma Chattaraj, Pratim K |
| Keywords: | Theoretical chemistry;Density functional calculations;Hydrogen storage;Aromaticity;Conceptual DFT;Nucleus independent chemical shift;Chemical shift |
| Issue Date: | Jan-2012 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Importance of various conceptual density functional theory based reactivity descriptors and nucleus independent chemical shift in analyzing the hydrogen adsorption potential of a wide variety of systems is reviewed. The charges on the different atomic sites in a molecule also play a crucial role in this regard. |
| Page(s): | 226-244 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Appears in Collections: | IJC-A Vol.51A(01-02) [January-February 2012] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 51A(01-02) 226-244.pdf | 524.28 kB | Adobe PDF | View/Open |
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