ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Summation method for the correction of atomic coordinates in structure analyses by differential syntheses

S. Ďurovič

Slovak Academy of Sciences, Bratislava

Abstract: A method for the correction of at. coordinates in the final stage of structure analyses without applying the Booth equation (CA 40,56163) is described. A simple gradual adding of D functions to the original Fo functions of the electron d. in the area of the max. is sufficient. Reijen's (CA 36,68952) work was a start. A practical example is given.

Full paper in Portable Document Format: 198a645.pdf (in Slovak)

Chemical Papers 19 (8) 645–649 (1965)