RELATIONSHIPS BETWEEN LATTICE ENERGIES AND SURFACE ELECTROSTATIC POTENTIALS AND AREAS OF ANIONS
作者： Peter Politzer , Jane S. Murray
DOI: 10.1021/JP972885F
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摘要: We show that the lattice energies of ammonium, sodium, and potassium salts can be expressed analytically in terms total charges anions their computed surface electrostatic potentials areas. The calculations have been carried out at HF/6-31+G* level for 17 singly doubly charged anions. Predicted are presented 10 compounds.
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