Rényi's divergence as a chemical similarity criterion

Protons in identical electronic environments within a molecule are chemically equivalent and have the same chemical shift. The replacement test is a useful tool to identify chemical equivalence and predict NMR spectra. A substituent replaces each of the protons being examined and the resulting molecules are compared. If the same molecule is obtained, the protons are equivalent or homotopic. Replacement of any hydrogens in ethane by chlorine yields chloroethane because all six protons are...

The divergence of a vector field at a point is the net outward flow of the flux out of a small volume through a closed surface enclosing the volume, as the volume tends to zero. More practically, divergence measures how much a vector field spreads out or diverges from a given point. For an outgoing flux, conventionally, the divergence is positive. The diverging point is often called the "source" of the field. Meanwhile, the negative divergence of a vector field at a point means that the...

The divergence and Stokes' theorems are a variation of Green's theorem in a higher dimension. They are also a generalization of the fundamental theorem of calculus. The divergence theorem and Stokes' theorem are in a way similar to each other; The divergence theorem relates to the dot product of a vector, while Stokes' theorem relates to the curl of a vector. Many applications in physics and engineering make use of the divergence and Stokes' theorems, enabling us to write...

Consider a region consisting of several individual conductors with a definite charge density in the region between these conductors. The second uniqueness theorem states that if the total charge on each conductor and the charge density in the in-between region are known, then the electric field can be uniquely determined.
In contrast, consider that the electric field is non-unique and apply Gauss's law in divergence form in the region between the conductors and the integral form to the...

The similarity-dissimilarity effect, a fundamental concept in social psychology, explains how interpersonal similarities and differences influence attraction and social interactions. This effect is supported by three key psychological perspectives: balance theory, social comparison theory, and consensual validation.Balance Theory and Cognitive ConsistencyBalance theory, developed by Fritz Heider, posits that individuals seek cognitive consistency in their relationships. When two people share...

A solute is a component of a solution that is typically present at a much lower concentration than the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
Concentrations may be quantitatively assessed using a wide variety of measurement units, each convenient for particular applications. Molarity (M) is a useful concentration unit for many applications in chemistry.