Patrizia Calaminici, Victor Daniel Domínguez-Soria and Andreas M. Köster Comparison of molecular graphs of Lin, Nan and Cun (n = 2–5) clusters obtained from the density and the molecular electrostatic potential International Journal of Quantum Chemistry 112
One of the most challenging tasks in modern chemistry is the description and understanding of the electronic structures of molecules in terms of a bond theory for relevant chemical problems. Molecular graphs of scalar fields such as the electron density result a very powerful tool for this purpose. In this work, the applicability of this feature to alkali metals and transition metal clusters is shown.
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