Correcting the azimuthal angle concept: nonexistence of an upper bound

Gutman, I
Türker, Burhan Lemi
One of the present authors introduced a parameter, named 'azimuthal angle' phi, aimed at distinguishing between isomeric molecules, especially between isomers whose molecular graphs are isospectral. In a recent Letter [Chem. Phys. Lett. 364 (2002) 463] an upper bound for phi was established. Unfortunately, this upper bound is erroneous. We now show that, based on the considerations in the mentioned Letter, the azimuthal angle cannot be determined and it may assume any value between 0 and 2pi.


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A theory of irreversible thermodynamics of curved surfaces and interfaces with triple junction singularities is elaborated to give a full consideration of the effects of the specific surface Gibbs free energy anisotropy in addition to the diffusional anisotropy, on the morphological evolution of surfaces and interfaces in crystalline solids. To entangle this intricate problem, the internal entropy production associated with arbitrary virtual displacements of triple junction and ordinary points on the interf...
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The electronic structure of single and multiple layers of C-60 molecules deposited on a Rh(100) surface is investigated by means of valence photoemission spectroscopy and density functional theory calculations. The binding of the fullerene monolayer to the metal surface yields the appearance of a new state in the valence band spectrum crossing the Fermi level. Insight into the metallization of the metal/fullerene interface is provided by the calculated electronic structure that allows us to correlate the me...
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Molecular dynamics simulations are performed to determine the solubility and diffusion coefficient of carbon dioxide and nitrogen in poly(methyl methacrylate) (PMMA). The solubilities of CO2 in the polymer are calculated employing our grand canonical ensemble simulation method, fixing the target excess chemical potential of CO2 in the polymer and varying the number of CO2 molecules in the polymer matrix till establishing equilibrium. It is shown that the calculated sorption isotherms of CO2 in PMMA, employi...
Citation Formats
I. Gutman and B. L. Türker, “Correcting the azimuthal angle concept: nonexistence of an upper bound,” CHEMICAL PHYSICS LETTERS, pp. 425–427, 2003, Accessed: 00, 2020. [Online]. Available: