Browsing Division of Chemical Sciences by thesis submitted date"1998"
Now showing items 1-11 of 11
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Chemistry of tetrathiomolybdate : Application in organic synthesis
Chemistry of Tetrathiomolybdate: Applications in Organic Synthesis K. R. Prabhu, Department of Organic Chemistry, IISc, Bangalore This thesis deals with the chemistry of benzyltriethylammonium tetrathiomolybdate, ... -
Computational studies of the effect of confinement in Zeolitic cavities on the diffusion of monatomic Sorbates and the melting characteristics of Argon Clusters
The present chapter has attempted to study the temperature dependence of the levitation effect. It has been shown that this effect is most pronounced at lower temperatures and decreases in intensity at higher temperatures. ... -
Density matrix renormalization group studies of low-dimensional magnetic systems and conjugated polymers
To conclude, we have performed symmetrized DMRG calculations on the extended Hubbard–Peierls model. We have presented the dependences of exciton binding energy both on alternation ? and nearest-neighbor interaction parameter ... -
Synthesis and liquid crystalline properties of Rufigallol based discotic materials
In 1977 Chandrashekar et al. discovered the discotic liquid crystalline phase. A typical discotic molecule has an aromatic core to which are attached via ester or ether links six to eight alkyl chains, for example benzene ... -
Theoretical and computational studies of solvent and vibrational dynamic effects on electron transfer reactions and overtone vibrational dephasing in liquids
This thesis consists of two parts. In the first part, a detailed theoretical study of the effects of ultrafast polar solvent modes and the intramolecular vibrational modes on electron transfer reaction (E T R ) is ... -
Theoretical studies on intermolecular hydrogen transfer reactions
Overview of Intermolecular Hydrogen Transfer Reactions This thesis explores various features of intermolecular hydrogen transfer reactions using theoretical methods such as ab initio calculations and analytical models. Key ... -
Theortical studies of polar solvation dynamics, ionic mobility, solute diffusion and activated barrier crossing dynamicsin dense liquids
There are several features of this chapter that are new. The self-motion of the probe solute has been incorporated here for the first time and studied systematically. The theoretical approach captures quite successfully ...