Early contributions to theoretical chemistry: Inga Fischer-Hjalmars, a founder of the Swedish school

Abstract

ABSTRACTInga Fischer-Hjalmars was one of the pioneers in the creation of the Swedish school of theoretical chemistry. She started her scientific endeavours in pharmacy and biochemistry, but soon sought a deeper understanding of molecules and chemistry. With a genuine experimental background and quantum chemical skills learned from Charles Coulson in the late 1940s, Inga was well prepared to continue her research and to contribute to the establishment of theoretical chemistry as it was later defined by Coulson; the use of quantum mechanics to explain experimental phenomena in all branches of chemistry. During the 1950s and 1960s Inga made important contributions to our understanding of chemical bonding and reactivity. For example, she made key insights into the dissociation of molecular hydrogen, the influence of heteroatoms on dipole moments in organic compounds, the electronic configuration of ozone and on the validity of different approximations in molecular theory. Inga Fischer-Hjalmars and her students developed extensions of the Pariser–Parr–Pople method and during the latter part of her career, she returned to the biomolecules that once had brought her into science, now applying quantum chemical methods to understand bonding and spectral properties of these molecules at greater depth.