TY  - BOOK
AU  - Sharma, Nishant
AU  - Lourderaj, U.
TI  - Computational studies of aromatic substitution and gas-surface reactions
U1  - 544.72.02 
PY  - 2021///
CY  - Bhubaneswar
PB  - NISER
KW  - KINETIC ENERGY
KW  - GAS-SURFACE INTERACTION
KW  - GIBBS FREE ENNERGY
KW  - BORN- OPPENHEIMER (BO) APPROXIMATION
KW  - ELECTRON- ELECTRON REPULSION
KW  - PAULI EXCLUSION PRINCIPLE
KW  - DENSITY FUNCTIONAL THEORY (DFT)
KW  - EQUATIONS OF MOTION (EOM)
KW  - ELECTROPHILIC AROMATIC SUBSTITUTION
KW  - CYCLOPENTADIENYL (Cp) RINGS
N1  - A 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
ER  -