10 results on '"Pal, Sourav"'
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2. Synchronous Proton‐Hydride Transfer by a Pyrazole‐Functionalized Protic Mn(I) Complex in Catalytic Alcohol Dehydrogenative Coupling.
3. Role of substituents on the reactivity and electron density profile of diimine ligands: A density functional theory based study
4. Behaviour of density functional theory for electric response properties at distorted geometries of molecules
5. Reactivity descriptors and electron density analysis for ligand chemistry: A case study of 2,2′-bipyridine and its analogues
6. Understanding the molecular conformations of Na-dimyristoylphosphatidylglycerol (DMPG) using DFT-based method.
7. Effect of solvents having different dielectric constants on reactivity: A conceptual DFT approach.
8. Effects of conjugation length and donor–acceptor functionalization on the non-linear optical properties of organic push–pull molecules using density functional theory
9. Aluminum cluster for CO and O2 adsorption.
10. Bond length variations: Electron number profiles and transferable atomic sizes
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