期刊
CRYSTALS
卷 6, 期 1, 页码 -出版社
MDPI
DOI: 10.3390/cryst6010007
关键词
nitrogen-rich; electrostatic potentials; C; H; N; O molecular and ionic compounds; crystal densities
The computed electrostatic potentials on C,H,N,O molecular solids and nitrogen-rich C,H,N,O salts are used in analyzing and comparing intralattice attractive forces and crystal densities in these two categories of compounds. Nitrogen-rich C,H,N,O salts are not an assured path to high densities. To increase the likelihood of high densities, small cations and large anions are suggested. Caution is recommended in predicting benefits of nitrogen-richness for explosive compounds.
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