The journals listed as core journals in Table 1 have been searched exhaustively for articles. The Data Base contains the following items. All the authors are included. Special symbols such as umlaut are omitted. The chemical compounds for which calculations are made are coded in the style of the formula index of Chemical Abstracts, except for the expression of two-letter elements and the assignment of the charge.
Carbon atoms come first, hydrogen atoms next, and then other atoms in the alphabetical order.
When an isomer has to be identified, it may be written explicitly in comments. The codes for methods are given in Table 2. When a method is on the boundary of more than one method, it is usually, but not always, identified by all of them. Split valence basis sets are included in double zeta sets. Because of the variety and complexity of the properties, the code assignments may not be completely unique.