Spatial models of the current density vector field, induced in theelectronic cloud of the acetylene and ethylene molecules by a uniform,time-independent magnetic field, are discussed in terms of topologicalstagnation graphs and three-dimensional streamline plots. The modelsare validated by documenting their ability to explain magnetic suscep-tibility and nuclear magnetic shieldings of carbon and hydrogen viarelated shielding density maps.
Ring current models for acetylene and ethylene molecules / S., Pelloni; Lazzeretti, Paolo. - In: CHEMICAL PHYSICS. - ISSN 0301-0104. - STAMPA. - 356:1-3(2009), pp. 153-163. [10.1016/j.chemphys.2008.10.048]
Ring current models for acetylene and ethylene molecules
LAZZERETTI, Paolo
2009
Abstract
Spatial models of the current density vector field, induced in theelectronic cloud of the acetylene and ethylene molecules by a uniform,time-independent magnetic field, are discussed in terms of topologicalstagnation graphs and three-dimensional streamline plots. The modelsare validated by documenting their ability to explain magnetic suscep-tibility and nuclear magnetic shieldings of carbon and hydrogen viarelated shielding density maps.
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