title: The distribution of isotopomers in crystals.
abstract: Isotopic substitution is used extensively in the physical sciences and particularly in vibrational spectroscopy. To be able to correctly analyze solid state spectra of crystalline materials, it is essential to know the isotopic distribution present. Here, I show how the distribution of isotopomers in a crystal may be calculated for arbitrary numbers of isotopes and sites.
authors: ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot OX11 0QX, UK. Electronic address: stewart.parker@stfc.ac.uk.
authors: Stewart F
authors: SF
authors: Parker
mesh_terms: D000465:Algorithms; D001896:Boron Compounds / Q000737:chemistry*; D003460:Crystallization; D007554:Isotopes / Q000032:analysis; D013057:Spectrum Analysis
chemical_list: D001896:Boron Compounds; D007554:Isotopes; C522695:borazine
keywords: Borazine; Hydrate; Isotope; Isotopic substitution; Isotopomer; Multinomial theorem