ALBERT — All Library Books, journals and Electronic Records Telegrafenberg

Hits per page

hit 1 - 1 | 1 hit

Sorting

Electronic Resource

Molecular volumes and densities of liquids and solids by molecular mechanics - estimation and analysis (1996)

Piacenza, G. ; Legsaï, G. ; Blaive, B. ; [et al.]

Chichester : Wiley-Blackwell

Journal of Physical Organic Chemistry 9 (1996), S. 427-432

add to mindlist on the mindlist

Details

ISSN: 0894-3230

Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology , Physics

Notes: Molecular volumes of 80 compounds (50 liquids and 30 solids), with densities in the range 0·6-3·0 g cm-3, were calculated by molecular mechanics. The densities derived from these molecular volumes (Vmol MM) by the approximation dMM = mol. wt/Vmol MMNA (NA = Avogadro's number) give two linear correlations (one for liquids and one for solids) when plotted versus experimental densities. Two general equations obtained from those relationships give a good precision (3% mean error) when tested in the calculation of the experimental densities of 183 compounds that have different structures and functional groups.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

Permalink

	Location	Call Number	Expected	Availability

Others were also interested in ...

Paper (German National Licenses)

hit 1 - 1 | 1 hit