Search
Now showing items 1-10 of 10
Microwave Spectroscopic and Theoretical Investigations on Inter/Intra Molecular Bonding
(2018-05-09)
The importance of weak interactions between molecules to life and all parts of science and engineering is unquestionable and there have been an enormous interest in such interactions. Among all the weak interactions, ...
Rotational Spectroscopic And Ab Initio Studies On The Weakly Bound Complexes Containing 0-H...π And S-H...π Interactions
(2010-11-22)
Work reported in this thesis mainly comprises of the assignments and analysis of the rotational spectra and structures of three weakly bound complexes: C2H4•••H2S, C6H5CCH•••H2O and C6H5CCH•••H2S. All the data have been ...
Controlling Conformation of Macromolecules by Immiscibility Driven Self-Segregation
(2018-05-09)
Controlling conformation of macromolecules, both in solution and solid state, has remained an exciting challenge till date as it confronts the entropy driven random coil conformation. Folded forms of biomacromolecules, ...
Microwave Spectroscopic and Atoms in Molecules Theoretical Investigations on Weakly Bound Complexes : From Hydrogen Bond to 'Carbon Bond'
(2018-05-01)
Weak intermolecular interactions have very strong impact on the structures and properties of life giving molecules like H2O, DNA, RNA etc. These interactions are responsible for many biological phenomena. The directional ...
Computational Studies on Interstellar Molecular Species : From Formation to Detection
(2018-03-01)
Initiated with the purpose of assigning the Fraunhofer lines in the solar spectrum to atomic transitions in the 18th century, the collaboration between spectroscopists and astrophysicists has remained fruitful, successful ...
Nature Of Solute-Solvent Interaction : Effect Of Solvent Polarity On Excited State Structure Of 2,2,2-Trifluroacetophenone And Effect Of Hydrogen Bonding In Hydrated Electron Absorption Spectrum
(2009-09-02)
In solution, the environment around the solute is determined solely by the solvent molecules, which are present closer to the solute. This interaction between solute and solvent shell is very crucial for equilibrium structure ...
Theoretical Investigation of H-Bonded O-H Vibrations, H-Atom Transfer and C-H Vibrations via Empirical Valence Bond and Local Mode Based Models
In this thesis, I have presented my work on properties of hydrogen(H) bonded systems, H-atom transfer reaction in solution and molecular vibrational spectra through theoretical inves-tigations. The studies are based on two ...
Microwave Rotation-Tunnelling Spectroscopic and Theoretical Studies on Weakly Bound Molecular Complexes: Intermolecular Bonding across the Periodic Table
Intermolecular interactions appear to be well understood in a broad sense today; at a deeper molecular level, it is still evolving. Spectroscopy in this isolated state proved to be a first step toward understanding the ...