The most recent results dealing with the computation of 13 C NMR chemical shifts in
chemistry (small molecules, saturated, unsaturated and aromatic compounds, heterocycles …

Present review outlines the advances and perspectives of computational 1H and 13C NMR
applied to the stereochemical studies of inorganic, organic, and bioorganic compounds …

This review generalizes diverse computational NMR studies of different natural products
involving true alkaloids (indole, quinolizidine, pyrrolizidine, piperidine, indolizidine …

This is the third and the last part of three closely interrelated reviews dealing with
computation of 1H nuclear magnetic resonance chemical shifts and 1H–1H spin–spin …

Quantum chemical calculations were used to study the mechanism of Diels‐Alder reactions
involving chiral anthracenes as dienes and a series of dienophiles. The reaction force …

Studies involving the structural elucidation of organic compounds isolated from natural
products, along with theoretical calculations based on density functional theory (DFT), have …

A novel pyrrolizidine alkaloid was isolated and purified from the aerial parts of Crotalaria
retusa L. Structural elucidation of the alkaloid was established by analyses of high field NMR …

Very large trimeric indole alkaloid strychnohexamine, with empirical formula C59H60N6O
(66 second‐row atoms and 60 protons), has been subjected to the state‐of‐the‐art …

Cyclic imides are versatile molecules in organic synthesis and have a wide range of
properties and applications. Herbicidal activity is one of the properties studied and has been …

Pyrrolizidine alkaloids (PAs) are secondary metabolites found in Crotalaria genus and are
known to have several biological activities. A novel macrocycle bislactone alkaloid, coined …