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Combined DFT and BS study on the exchange coupling of dinuclear sandwich-type POM: comparison of different functionals and reliability of structure modeling

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Affiliation of Author(s):化学与材料科学学院

Journal:JOURNAL OF MOLECULAR MODELING

Place of Publication:国外学术期刊

Indexed by:Journal paper

Document Code:5b75928c600556e701600593132b0987

Page Number:卷: 18 期: 5 页: 2271-2278

ISSN No.:1610-2940

Translation or Not:no

Date of Publication:2012-05-01

First Author:尹兵

Pre One:Synthesis, Crystal Structure and Theoretical Calculation of 1,3-Bis(1-ferrocenesulfony1-2-benzimidazolyl)propane

Next One:The magnetic coupling in manganese-based dinuclear superhalogens and their analogues. A theoretical characterization from a combined DFT and BS study

Bing Yin

Date of Birth:1981-12-19 Gender:Male Education Level:With Certificate of Graduation for Doctorate Study Degree:博士 School/Department:化学与材料科学学院

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