Pure Appl. Chem., 1998, Vol. 70, No. 4, pp. 1015-1018
doi:10.1351/pac199870041015
PHYSICAL AND BIOPHYSICAL CHEMISTRY DIVISION
COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY
Guidelines for presentation of methodological choices in the publication of computational results. A. Ab initio electronic structure calculations (IUPAC Recommendations 1998)
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