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Published Subscription Review Article
The Molecular Structure of Chemical Compounds by using Quantitative Calculations in ChemistryBy Nagham Mahmood Aljamali, Dr. Saher Mahmood Jwad, Wisam Hassan Ali Alfartosi, Dr.Rajaa Abdul Ameerghafil
Abstract: Computational chemistry has its roots in the early attempts of theoretical physicists, beginning in 1928, to solve the Schrödinger equation using mechanical calculating machines. These calculations verified that the solutions of the Schrödinger equation quantitatively reproduced experimentally observed properties of simple systems such as the helium atom and the hydrogen molecule. These approximate solutions of larger systems and exact solutions of simple model problems allowed chemists and physicists to provide …
Published in Journal of Catalyst & Catalysis · Vol. 12, Issue 2, 2025 · pp. 01–08 Read article →