However, specific values of refractivity are required to deal with different structure-types ( Eggleton 1991 ), and the relation required modification to deal with structural polymorphs and the birefringence of anisotropic crystal structures.
12.
The Gladstone Dale relation requires a particle model of light because the continuous wave-front required by wave theory cannot be maintained if light encounters atoms or molecules that maintain a local electric structure with a characteristic refractivity.
13.
To calculate the optical properties of materials using the polarizability or refractivity volumes in nm 3, the Gladstone Dale relation competes with the Kramers Kronig relation and Lorentz Lorenz relation but differs in optical theory ( Jaffe 1988 ).
14.
:See molar refractivity and compare the Clausius Mossotti relation with equation ( 18 ) for molar polarisation in this . "'Sp in ni ng Spark "'10 : 08, 7 September 2008 ( UTC)
15.
Each molecule has a characteristic mass ( due to the atomic weights of the elements ) and atomic or molecular volume that contributes to the bulk density, and a characteristic refractivity due to a characteristic electric structure that contributes to the net index of refraction.
16.
The van der Waals volume of an atom or molecule may also be determined by experimental measurements on gases, notably from the van der Waals constant " b ", the polarizability " ? " or the molar refractivity " A ".
17.
Based on one definition, a drug-like molecule has a logarithm of partition coefficient ( log P ) between-0.4 and 5.6, molecular weight 160-480 g / mol, molar refractivity of 40-130, which is related to the volume and molecular weight of the molecule and has 20-70 atoms.
18.
In the Gladstone Dale relation, ( n " 1 ) / ? = sum ( km ), the index of refraction ( n ) or the density ( ? in g / cm 3 ) of miscible liquids that are mixed in mass fraction ( m ) can be calculated from characteristic optical constants ( the molar refractivity k in cm 3 / g ) of pure molecular end-members.
19.
By this definition, the molecular descriptors are divided into two main categories : "'experimental measurements "', such as log P, molar refractivity, dipole moment, polarizability, and, in general, physico-chemical properties, and "'theoretical molecular descriptors "', which are derived from a symbolic representation of the molecule and can be further classified according to the different types of molecular representation.
