期刊
INORGANICA CHIMICA ACTA
卷 361, 期 14-15, 页码 3820-3831出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ica.2008.03.076
关键词
computational chemistry; ab initio; DFT; transition metals; molecular magnetism; EPR
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. (C) 2008 Elsevier B.V. All rights reserved.
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