Synthesis of a series of new organic photosensitizers, designated as BZ1‐BZ4, was
achieved by incorporating benzofuran core as π‐spacer, triphenylamine (TPA) and 4 …

We report the detailed mechanistic insights of L-proline catalyzed, solvent-controlled,
regioselective Mannich reaction. Different solvation models were employed to understand …

Unimolecular decomposition of organic compounds is strongly influenced by substituted
functional group. The present work focusses to explore the energetics and kinetics of …

The decomposition of alkyl halide is controversial concerning C–X bond dissociation
reaction and molecular (HX) elimination reaction. In order to identify the feasibility of …

The unimolecular dissociation of trifluoromethanol (CF 3 OH) had been studied by static and
dynamic calculations. The electronic structure calculations and molecular dynamic (MD) …

Hitherto, it has been considered that molecules with same functional groups are expected to
possess similar properties. In present study, we have demonstrated theoretically the crucial …

The present work reports the theoretical study of the reaction between anthrones and
maleimides organocatalyzed by bifunctional thiourea. It has been observed that the …

The present work comprises exploring the efficacies of the chiral organocatalysts employed
in the classic Diels‐Alder reaction between anthrone and maleimide in generating an …