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Titolo:
ND3-density distribution in orientationally disordered Ni(ND3)(6)Cl-2 observed by means of neutron Laue diffraction
Autore:
Schiebel, P; Burger, K; Buttner, HG; Kearley, GJ; Lehmann, M; Prandl, W;
Indirizzi:
Univ Tubingen, Inst Kristallog, D-72070 Tubingen, Germany Univ Tubingen Tubingen Germany D-72070 tallog, D-72070 Tubingen, Germany Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France Inst Max Von Laue Paul Langevin Grenoble France F-38042 Grenoble, France Tech Univ Delft, Interfac Reactor Inst, Delft, Netherlands Tech Univ Delft Delft Netherlands rfac Reactor Inst, Delft, Netherlands
Titolo Testata:
JOURNAL OF PHYSICS-CONDENSED MATTER
fascicolo: 40, volume: 12, anno: 2000,
pagine: 8567 - 8576
SICI:
0953-8984(20001009)12:40<8567:NDIODN>2.0.ZU;2-4
Fonte:
ISI
Lingua:
ENG
Soggetto:
MAXIMUM-ENTROPY METHOD; ELECTRON-DENSITY-DISTRIBUTION; POWDER DATA; ANOMALOUS-SCATTERING; BAYESIAN-APPROACH; X-RAY; MODEL; CRYSTALLOGRAPHY; ROTATION; MEED;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
--discip_EC--
Citazioni:
28
Recensione:
Indirizzi per estratti:
Indirizzo: Schiebel, P Univ Tubingen, Inst Kristallog, Charlottenstr 33, D-72070 Tubingen, Germany Univ Tubingen Charlottenstr 33 Tubingen Germany D-72070 rmany
Citazione:
P. Schiebel et al., "ND3-density distribution in orientationally disordered Ni(ND3)(6)Cl-2 observed by means of neutron Laue diffraction", J PHYS-COND, 12(40), 2000, pp. 8567-8576

Abstract

Neutron Laue diffraction combined with the maximum-entropy method yields apowerful tool for direct observation of the density distribution of dynamically disordered molecules. Lane diffraction investigation delivers a systematically incomplete data set in a very much shorter time than using a conventional four-circle diffractometer, and the maximum-entropy method is an easy tool to use to cope with the gaps in the data set. From the calculated proton-density distribution the molecular hindering potential was successfully derived in the case of Ni(ND3)(6)Cl-2.

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Documento generato il 24/09/20 alle ore 10:19:43