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Computational studies of aromatic substitution and gas-surface reactions

By: Sharma, NishantContributor(s): Lourderaj, UMaterial type: TextTextLanguage: English Publication details: Bhubaneswar: NISER, 2021 Description: 99p. pbSubject(s): KINETIC ENERGY | GAS-SURFACE INTERACTION | GIBBS FREE ENNERGY | BORN- OPPENHEIMER (BO) APPROXIMATION | ELECTRON- ELECTRON REPULSION | PAULI EXCLUSION PRINCIPLE | DENSITY FUNCTIONAL THEORY (DFT) | EQUATIONS OF MOTION (EOM) | ELECTROPHILIC AROMATIC SUBSTITUTION | CYCLOPENTADIENYL (Cp) RINGSDDC classification: 544.72.02
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Item type Current library Call number Status Date due Barcode
Theses (Ph.D) Theses (Ph.D) NISER LIBRARY
544.72.02 SHA-C (Browse shelf(Opens below)) Not for loan T201

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

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