Please use this identifier to cite or link to this item:
http://dspace.bits-pilani.ac.in:8080/jspui/handle/123456789/4856| Title: | Formal and Conceptual Development of Density Functional Theory (DFT) Based Reactivity Descriptors and Their Applications to Understand Kinetic and Thermodynamic Aspects of a Chemical Reaction |
| Authors: | Sarmah, Amrit |
| Keywords: | Chemistry Chemical Reaction Density Functional Theory Thermodynamics |
| Issue Date: | Aug-2015 |
| Publisher: | BITS, Pilani |
| Description: | Supervisor: Ram Kinkar Roy |
| URI: | http://dspace.bits-pilani.ac.in:8080/xmlui/handle/123456789/4856 |
| Appears in Collections: | Department of Chemistry |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Thesis.pdf | Thesis | 5.6 MB | Adobe PDF | View/Open |
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