Book ChapterDOI
Molecular Refractivity and Polarizability
TLDR
In this article, molecular refractivity and polarizability of a particle is defined as the dipole moment induced by an electric field of unit intensity, and the principal polarizabilities of molecules can be analyzed in terms of anisotropic bond polarisation.Abstract:
Publisher Summary This chapter discusses molecular refractivity and polarizability. Refractive indices ( n ) of pure substances are more accurately measurable than any other optical properties. The refractive index of a substance varies with its physical state, temperature t , and wave-length λ of the light by which n is observed. The first two of these effects are attributed to the density d . The specific refraction r of a substance multiplied by the molecular weight is referred as molecular refraction. Polarizability of a particle is defined as the dipole moment induced by an electric field of unit intensity. The polarizabilities of monatomic ions and molecules are generally independent of field direction. The principal polarizabilities of molecules can be analyzed in terms of anisotropic bond polarizabilities. Polarizabilities are also responsible for the birefringence, which appears whenever the orientations of anisotropic molecules in an assemblage are derandomized or changed by any disturbing force.read more
Citations
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Journal ArticleDOI
Computational Methods in Drug Discovery
TL;DR: Computer-aided drug discovery/design methods have played a major role in the development of therapeutically important small molecules for over three decades and theory behind the most important methods and recent successful applications are discussed.
Journal ArticleDOI
On the Distribution of Protein Refractive Index Increments
TL;DR: This study examines the widely used assumption that most proteins have dn/dc values in a very narrow range, and reappraise the prediction of dn/,dc of unmodified proteins based on their amino acid composition, to obtain an estimate of the full distribution of protein dn./dc values.
Journal ArticleDOI
The static dipole polarizabilities of all the neutral atoms in their ground states
TL;DR: In this article, the static dipole polarizabilities of all neutral atoms in their ground electronic states have been collected and tabulated, and a bibliography for both theoretical and experimental determinations is included.
Book ChapterDOI
Organic Materials for Second-Order Non-Linear Optics
J. Jens Wolff,Rüdiger Wortmann +1 more
TL;DR: In this paper, the second-order molecular polarizabilities of organic molecules are surveyed and the underlying physical principles of nonlinear optics (e.g. molecular topology) and the establishment of structure-property relationships.
References
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Journal ArticleDOI
Beziehungen zwischen elastischen Konstanten und Dehnungsdoppelbrechung hochelastischer Stoffe
Werner Kuhn,F. Grün +1 more
TL;DR: In this article, the optischen Doppelbrechung zur mechanischen Ruckstellkraft (dyn/cm2) erweist sich dabei als unabhangig von der Anzahl der pro cm3 der Substanz vorhandenen Kristallite.
Journal ArticleDOI
Atomic polarizabilities and shielding factors
TL;DR: In this article, a detailed discussion of the methods of calculating atomic polarizabilities and shielding factors and the relationships between them are demonstrated, and a more accurate procedure, the coupled Hartree-Fock approximation, is described.