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Simple calculation of electrostatic isopotential maps from bond fragments
A simple and very rapid method for the calculation of electrostatic isopotential maps is proposed. The potential is composed of transferable bond fragments. According to chemical evidence, σ‐,Expand
Calculation of optical rotation from molecular structure: comparative study of MM2, MM3 and AM1 methods
Abstract Molecular optical rotation values for a series of cyclohexane derivatives have been calculated using a method developed by us before. The values observed using Molecular Mechanics methodsExpand
Chiral tetranuclear NiII clusters derived from Schiff bases and azido co-ligands
Abstract Chiral tetranuclear clusters have been obtained employing enantiomerically pure Schiff bases and azido coligands. The core of the new clusters shows defective dicubane topology with twoExpand