MNDO parameterized hybrid SLG/SCF method as used for molecular modeling of Zn(II) complexes
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چکیده
منابع مشابه
Synthesis, biological and molecular modeling studies of macrocyclic complexes of trivalent metal ions
The macrocyclic complexes of biological importance with power transition metals are synthesized by template methodology leading to the formation of the complex [MLX] X2; where L is macrocyclic ligand derived from 3,4-diaminotoluene, 2,4-thiazolidinedione, M=Cr (III) and Fe(III) X is Cl-, CH3COO- or NO3_.Characterisation of these complexes are through with the assistance of elemental analyses(CH...
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c Deutsches Forschungszentrum f ¨ ur K ¨ unstliche Intelligenz 1997 This work may not be copied or reproduced in whole of part for any commercial purpose. Permission to copy in whole or part without payment of fee is granted for nonprofit educational and research purposes provided that all such whole or partial copies include the following: a notice that such copying is by permission of the Deu...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2006
ISSN: 0020-7608,1097-461X
DOI: 10.1002/qua.20956