Title of article
Some considerations on the proper use of computational tools in transition metal chemistry
Author/Authors
Bencini، نويسنده , , Alessandro، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2008
Pages
12
From page
3820
To page
3831
Abstract
The current understanding of transition metal chemistry is reviewed placing the attention at the applications and applicability of computational quantum chemistry to the calculation and prediction of spectroscopic properties of transition metal complexes and molecular magnets.
Keywords
Computational chemistry , DFT , Transition metals , Ab initio , molecular magnetism , EPR
Journal title
INORGANICA CHIMICA ACTA
Serial Year
2008
Journal title
INORGANICA CHIMICA ACTA
Record number
1326486
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