| 000 | 01089nam a22003017a 4500 | ||
|---|---|---|---|
| 005 | 20240508112139.0 | ||
| 008 | 220412b ||||| |||| 00| 0 hin d | ||
| 040 | _aNISER LIBRARY | ||
| 041 | _aEnglish | ||
| 082 |
_a544.72.02 _bSHA-C |
||
| 100 | _aSharma, Nishant | ||
| 245 | _aComputational studies of aromatic substitution and gas-surface reactions | ||
| 260 |
_aBhubaneswar: _bNISER, _c2021 |
||
| 300 |
_a99p. _bpb. |
||
| 500 | _aA thesis submitted to the board of studies in chemical sciences in partial fulfillment of requirements for the degree of Doctor of Philosophy of Homi Bhaba National Institute | ||
| 650 | _aKINETIC ENERGY | ||
| 650 | _aGAS-SURFACE INTERACTION | ||
| 650 | _aGIBBS FREE ENNERGY | ||
| 650 | _aBORN- OPPENHEIMER (BO) APPROXIMATION | ||
| 650 | _aELECTRON- ELECTRON REPULSION | ||
| 650 | _aPAULI EXCLUSION PRINCIPLE | ||
| 650 | _aDENSITY FUNCTIONAL THEORY (DFT) | ||
| 650 | _aEQUATIONS OF MOTION (EOM) | ||
| 650 | _aELECTROPHILIC AROMATIC SUBSTITUTION | ||
| 650 | _aCYCLOPENTADIENYL (Cp) RINGS | ||
| 700 | _aLourderaj, U. | ||
| 942 | _cTHPHD | ||
| 999 |
_c32969 _d32969 |
||