The structure of water in crystalline aluminophosphates: Isolated water and intermolecular clusters probed by Raman spectroscopy, NMR and structural modeling

Knops-Gerrits PP; Toufar H; Li XY; Grobet P; Schoonheydt RA; Jacobs PA; Goddard WA

Journal of Physical Chemistry A, Vol.104, No.11, 2410-2422, 2000

Knops-Gerrits PP, Toufar H, Li XY, Grobet P, Schoonheydt RA, Jacobs PA, Goddard WA

Keywords:MOLECULAR-SIEVE VPI-5;ELECTRONEGATIVITY EQUALIZATION METHOD;CHARGE SENSITIVITY ANALYSIS;POLYCRYSTALLINE ICE IH;AMORPHOUSSOLID WATER;OH STRETCHING REGION;FOURIER DECONVOLUTION;DYNAMICS SIMULATION;INFRARED-SPECTRA;SYSTEMS