Digitale Medien
New York, NY [u.a.]
:
Wiley-Blackwell
Journal of Computational Chemistry
11 (1990), S. 326-335
ISSN:
0192-8651
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Biochemistry
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
,
Informatik
Notizen:
Empirical force-field calculations were carried out before and after metal-complex formation for a cobalt(III)-complex system with a series of aliphatic amines. The limit of the strain-energy differences in metal-complex formation is evaluated by comparing the calculated data with experimental results. A criterion for the synthesizability of unknown metal complexes was derived from these findings. The strain energy of the ion pair was also calculated for some of the complexes. The results suggest that the ion-pair formation effectively contributes to their stabilization.
Zusätzliches Material:
4 Ill.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/jcc.540110307
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