Pregled bibliografske jedinice broj: 319574
An alternative approach to a revision of van der Waals radii for molecular crystals
An alternative approach to a revision of van der Waals radii for molecular crystals // Acta crystallographica. Section B, Structural science, 43 (1987), 4; 405-406 (međunarodna recenzija, članak, znanstveni)
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Naslov
An alternative approach to a revision of van der Waals radii for molecular crystals
Autori
Kirin, Davor
Izvornik
Acta crystallographica. Section B, Structural science (0108-7681) 43
(1987), 4;
405-406
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
atom shape model ; atom-atom potentials
Sažetak
Recently Nyburg & Faerman [Acta Cryst. (1985), B41, 274-279] made a revision of non-bonding (van der Waals) radii of atoms in molecular crystals. It was shown that the effective shape of atoms in crystals is spheroidal (elliptical) with two radii, major r, , and minor lb. In the present paper an alternative approach to the interpretation of their data is proposed. As a result, atoms in crystals still have spherical shape but the centre of the sphere is displaced from the nuclear site along the chemical bond. The implications of the model for the formulation of empirical atom-atom intermolecular potentials are briefly discussed
Izvorni jezik
Engleski
Znanstvena područja
Fizika, Kemija
Citiraj ovu publikaciju:
Časopis indeksira:
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
