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http://idr.niser.ac.in:8080/jspui/handle/123456789/323Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Sharma, Nishant | - |
| dc.contributor.author | Lourderaj, Upakarasamy | - |
| dc.date.accessioned | 2022-12-06T11:14:20Z | - |
| dc.date.available | 2022-12-06T11:14:20Z | - |
| dc.date.issued | 2022-04-12 | - |
| dc.identifier.uri | http://idr.niser.ac.in:8080/jspui/handle/123456789/323 | - |
| dc.language.iso | en_US | en_US |
| dc.publisher | School of Chemical Sciences, NISER, Bhubaneswar | en_US |
| dc.relation.ispartofseries | T201; | - |
| dc.subject | Kinetic Energy | en_US |
| dc.subject | Gas-Surface Interaction | en_US |
| dc.subject | Gibbs Free Ennergy | en_US |
| dc.subject | Born- Oppenheimer (BO) Approximation | en_US |
| dc.subject | Electron- Electron Repulsion | en_US |
| dc.subject | Pauli Exclusion Principle | en_US |
| dc.subject | Density Functional Theory (DFT) | en_US |
| dc.subject | Equations of Motion (EOM) | en_US |
| dc.subject | Electrophilic Aromatic Substitution | en_US |
| dc.subject | Cyclopentadienyl (Cp) Rings | en_US |
| dc.title | Computational studies of aromatic substitution and gas-surface reactions | en_US |
| dc.type | Thesis | en_US |
| Appears in Collections: | School of Chemical Sciences | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| T201_NISHANT_SHARMA_CHEM11201504004.pdf | 42.55 MB | Adobe PDF | View/Open |
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