ZfN: Search Results

1	Author	Roman Goc	Requires cookie*
	Title	Monte Carlo Calculation of the Correlation Functions for Molecular Rotation -Application to NMR
	Abstract	The Monte Carlo method for calculating correlation functions for the rotational motion of atoms is presented. This method applies to crystalline solids and allows the determination of the correlation functions for any model of rotating atoms, molecules or ions constituting the material of interest, if only its crystal structure is known. The presented method permits the calculation of the correlation functions for a whole block of unit cells, not only for a single group of particles. The described method can be employed to calculate correlation functions used in the theoretical description of NMR, dielectric or neutron diffraction experiments. As an example the correlation functions and NMR relaxation time T\ of solid benzene are calculated by the Monte Carlo method for the.
	Reference	Z. Naturforsch. 54a, 358—364 (1999); received March 9 1999
	Published	1999
	Keywords	Correlation Function, Monte Carlo, NMR, Relaxation
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	TEI-XML for	default:Reihe_A/54/ZNA-1999-54a-0358.pdf
	Identifier	ZNA-1999-54a-0358
	Volume	54

2	Author	R. Goc, J. Wąsicki, S. Lewicki	Requires cookie*
	Title	Ammonium Ions Dynamics in NH 4 Br -Proton NMR T 1 Measurements and Simulations
	Abstract	Monte Carlo simulation of correlation functions for ammonium bromide have been carried out and the NMR relaxation times T { resulting from these functions were calculated. Results of simulations are compared to experimental values of T x measured in the temperature range 92 K to 292 K.
	Reference	Z. Naturforsch. 54a, 689—694 (1999); received October 29 1999
	Published	1999
	Keywords	NMR, NH 4 Br, Relaxation, Monte Carlo, Simulation
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	TEI-XML for	default:Reihe_A/54/ZNA-1999-54a-0689.pdf
	Identifier	ZNA-1999-54a-0689
	Volume	54