What is the role of the complexant in the large first hyperpolarizability of sodide systems Li{[NH.sub.3]}[.sub.n]}Na (n=1-4)

Article Abstract:

The structures and large nonlinear optical (NLO) responses of model alkalides, Li{[NH.sub.3]}[.sub.n]}Na (n=1-4) were studied to explore the coordination number dependence of the NLO properties in alkalides. The results suggest that to enhance the first hyperpolarizability for alkalides, the coordination number around the cation and flexibility of the complexant must be considered.

Potassium & Sodium Compounds, Sodium & Sodium Compounds, Analysis, Sodium compounds, Polarization (Electricity)

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Ionic limiting molar conductivity calculation of Li-Ion battery electrolyte based on mode coupling theory

Article Abstract:

A new theoretical formulation is developed to study ion conductance in electrolyte solutions, based on a mode coupling theory (MCT) treatment of the electrolyte friction. Data calculated by empirically adjusted formula presents a potential way to calculate the conductivities of Li-ion Battery electrolytes.

Cyclic Crude and Intermediate Manufacturing, Propylene, Electrolytes

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Theoretical investigation of the large nonlinear optical properties of (HCN)n clusters with Li atom

Article Abstract:

The study obtained a complete description of the first hyperpolarizabilities of (HCN)n...Li and Li...(HCN)n (n=1,2,3). It indicates that these new alkali metal-molecular clusters have large nonlinear optical responses.

Hydrocyanic Acid, Optical properties, Hydrogen cyanide

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