view of the significance of molecular sciences, approaches for computational and experimental characterization of molecular systems are identified. This talk aims to give a flavour of the range of issues on which Nuclear Magnetic Resonance (NMR) can throw light. Basic principles of NMR are introduced, and NMR parameters are identified. The role that NMR plays in each facet of molecular characterization — structure, dynamics and transport, as also distribution — is illustrated with applications. Scalar spin-spin couplings in solution state NMR are highlighted, leading to ideas of population/coherence transfer, and experiments for mapping molecular bonding topology by Two Dimensional (2D) NMR.

Applications: Some of our 2D NMR research is showcased for applications to 2H and 6Li systems involving unresolved couplings. A solid-state NMR application is projected for the separation of 2H quadrupolar coupling and chemical shift. Heteronuclear Transverse Relaxation Optimized SpectroscopY is introduced for biomolecular structure elucidation. Two suites of diagonal suppressed homonuclear 2D correlation experiments from our Lab are then introduced. Characterization of molecular complexation by relaxometry is illustrated. Overhauser Dynamic Nuclear Polarization, involving cross-relaxation in spin pairs, is discussed for NMR sensitivity enhancement. Our work on fuel cell imaging, and molecular transport characterization in plant systems is described. Finally, identification of the molecular imprint of fruit ripening is illustrated, and a 2D MRS experiment is introduced.