Hydrogen storage: An overview with current insights based on a conceptual DFT approach
IR@NISCAIR: CSIR-NISCAIR, New Delhi - ONLINE PERIODICALS REPOSITORY (NOPR)
View Archive Info| Field | Value | |
| Title |
Hydrogen storage: An overview with current insights based on a conceptual DFT approach
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| Creator |
Chakraborty, Arindam
Duley, Soma Chattaraj, Pratim K |
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| Subject |
Theoretical chemistry
Density functional calculations Hydrogen storage Aromaticity Conceptual DFT Nucleus independent chemical shift Chemical shift |
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| Description |
226-244
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. |
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| Date |
2012-01-08T05:38:43Z
2012-01-08T05:38:43Z 2012-01 |
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| Type |
Article
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| Identifier |
0975-0975(Online); 0376-4710(Print)
http://hdl.handle.net/123456789/13358 |
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| Language |
en_US
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| Rights |
<img src='http://nopr.niscair.res.in/image/cc-license-sml.png'> <a href='http://creativecommons.org/licenses/by-nc-nd/2.5/in' target='_blank'>CC Attribution-Noncommercial-No Derivative Works 2.5 India</a>
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| Publisher |
NISCAIR-CSIR, India
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| Source |
IJC-A Vol.51A(01-02) [January-February 2012]
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