|
NISCAIR ONLINE PERIODICALS REPOSITORY (NOPR) >
NISCAIR PUBLICATIONS >
Research Journals >
Indian Journal of Chemistry -Section A (IJC-A) >
IJC-A Vol.51A [2012] >
IJC-A Vol.51A(01-02) [January-February 2012] >
| 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 |
| CC License: |  CC Attribution-Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Source: | IJC-A Vol.51A(01-02) [January-February 2012]
|
|
