ZIB

Hits per page

hit 1 - 1 | 1 hit

Select All Export

Electronic Resource

The effect of intramolecular processes on the polarizabilities and hyperpolarizabilities of some amines (1985)

Waite, J. ; Papadopoulos, M. G.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 82 (1985), S. 1427-1434

add to mindlist on the mindlist

Details

ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: We demonstrate that small, properly extended and optimized basis sets, within CNDO, are appropriate for the calculation of the electric polarizabilities and hyperpolarizabilities of amines. Employing such a wave function we show that the intramolecular processes (inversion and rotation) in some aromatic amines [C6H5NH2, C6H5N(CH3)2, and 1-C10H7NH2] have a small effect on the average polarizability and second hyperpolarizability while large changes are observed in the anisotropies of the charge cloud and the first hyperpolarizability. These observations are discussed and rationalized.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.448466

Library	Location	Call Number	Volume/Issue/Year	Availability

Others were also interested in ...

Paper (German National Licenses)

Fulltext

hit 1 - 1 | 1 hit