ALBERT — All Library Books, journals and Electronic Records Telegrafenberg

Hits per page

hit 1 - 1 | 1 hit

Select All Export

Electronic Resource

X–N and X–X (1s2 core) maps for cyanuric acid (1979)

Kutoglu, A. ; Scheringer, C.

[S.l.] : International Union of Crystallography (IUCr)

Acta crystallographica 35 (1979), S. 458-462

add to mindlist on the mindlist

Details

ISSN: 1600-5724

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: X–N maps and X–X (1s2 core) maps for cyanuric acid, C3H3N3O3, at 100 K are presented. The differences in scale and in the atomic parameters have large effects (≤ 0.4 e Å-3) on the difference density at the nuclei but smaller effects (≤ 0.15 e Å-3) on the bond density distributions. In particular, the density distribution around the O atoms, where polarization is likely to occur, is different in the two types of maps. It is concluded that, in these regions, the X-N maps yield the more reliable results.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0567739479001078

	Location	Call Number	Expected	Availability

Others were also interested in ...

Paper (German National Licenses)

Fulltext

hit 1 - 1 | 1 hit