ISSN:
1432-2234
Keywords:
LiXHn and BeXHn compounds
;
Structures
;
Heats of formation
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary In this theoretical work, we consider the geometrical, electronic and energetic properties of some lithium and beryllium derivatives. The standard heats of formation of these compounds have been calculated at the MP4=SDTQ/6-31+G(2df, p)//MP2=FULL/6-31G(d, p) level. The values obtained at this level of the theory are also compared with the heats of formation deduced from a composite procedure in which it is assumed that some corrections can be treated separately and combined in an additive manner. We find that the values determined with the complete 6-31+G(2df, p) basis set are the more accurate.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01374529
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