Magnetic exchange interaction in the μ-hydroxo bridged vanadium(IV) dimers: a density functional theory combined with broken-symmetry approach

Exchange Interaction ◽

Density Functional ◽

Broken Symmetry ◽

Magnetic Exchange ◽

Functional Theory ◽

Symmetry Approach ◽

Magnetic exchange cooperative effect of the bridges in μ-hydroxo and μ-acetato bridged chromium(III) dimers: a density functional theory coupling the broken-symmetry approach

Chemical Physics Letters ◽

10.1016/s0009-2614(02)01306-4 ◽

2002 ◽

Vol 364 (5-6) ◽

pp. 475-483 ◽

Cited By ~ 12

Author(s):

Qinghua Ren ◽

Zhida Chen ◽

Lei Zhang

Keyword(s):

Density Functional ◽

Cooperative Effect ◽

Broken Symmetry ◽

Magnetic Exchange ◽

Functional Theory ◽

Symmetry Approach ◽

Comparative study on effects of bridging and terminal ligands on magnetic exchange interaction in [(NH3)5Cr((μ-X)Cr(NH3)4L]n+ (X=O, OH; L=OH, OH2, NH3; n=4, 5): density functional theory study

10.1016/j.theochem.2004.11.043 ◽

2005 ◽

Vol 719 (1-3) ◽

pp. 159-168 ◽

Cited By ~ 5

Author(s):

Qinghua Ren ◽

Zhida Chen

Keyword(s):

Comparative Study ◽

Exchange Interaction ◽

Density Functional ◽

Density Functional Theory Study ◽

Magnetic Exchange ◽

Functional Theory

Magnetic Exchange Interaction in [BNITPhOPr] and [Cu(Cl2CHCO2)2(NITpPy)2(H2O)]: A Density Functional Theory Study

Journal of the Chinese Chemical Society ◽

10.1002/jccs.200300094 ◽

2003 ◽

Vol 50 (3B) ◽

pp. 645-653 ◽

Cited By ~ 1

Author(s):

Jie Ren ◽

Hai-Yan Wei ◽

Fan Wang ◽

Zhi-Da Chen ◽

Qi-Hua Zhao

Keyword(s):

Exchange Interaction ◽

Density Functional ◽

Density Functional Theory Study ◽

Magnetic Exchange ◽

Functional Theory

Ferromagnetic Coupling Behavior in Oxo-Bridged Binuclear Bis(η5-cyclopentadienyl)titanium(III) Complex (Cp2Ti)2(μ-O): A Density Functional Theory Combined with Broken-Symmetry Approach

The Journal of Physical Chemistry A ◽

10.1021/jp014368+ ◽

2002 ◽

Vol 106 (25) ◽

pp. 6161-6166 ◽

Cited By ~ 17

Author(s):

Qinghua Ren ◽

Zhida Chen ◽

Jie Ren ◽

Haiyan Wei ◽

Wentao Feng ◽

...

Keyword(s):

Density Functional ◽

Broken Symmetry ◽

Ferromagnetic Coupling ◽

Functional Theory ◽

Symmetry Approach ◽

Coupling Behavior ◽

Broken symmetry approach and density functional theory calculations for heterospin system consisting of copper(II) and aminoxyl radicals

Chemical Physics ◽

10.1016/j.chemphys.2006.07.042 ◽

2006 ◽

Vol 330 (1-2) ◽

pp. 82-89 ◽

Cited By ~ 15

Author(s):

Elnoor A.A. Noh ◽

Jingping Zhang

Keyword(s):

Density Functional ◽

Density Functional Theory Calculations ◽

Broken Symmetry ◽

Functional Theory ◽

Symmetry Approach ◽

Aminoxyl Radicals ◽

Additive contribution of mixed bridges to magnetic exchange interaction in hydroxo- and carbonato-bridged chromium(III) dimers: a density functional theory study

10.1016/s0166-1280(03)00208-2 ◽

2003 ◽

Vol 634 (1-3) ◽

pp. 11-21 ◽

Cited By ~ 3

Author(s):

Qinghua Ren ◽

Zhida Chen

Keyword(s):

Exchange Interaction ◽

Density Functional ◽

Density Functional Theory Study ◽

Magnetic Exchange ◽

Functional Theory ◽

Additive Contribution

Theoretical investigation of magnetic properties of a heterospin system consisting of manganese(II) [Mn(hfac)2(4NOPy)2]: A broken symmetry approach combined with density functional theory

10.1016/j.theochem.2008.07.018 ◽

2008 ◽

Vol 867 (1-3) ◽

pp. 33-38 ◽

Cited By ~ 7

Author(s):

Elnoor Abbakar Abdelrahman Noh ◽

Jingping Zhang

Keyword(s):

Magnetic Properties ◽

Theoretical Investigation ◽

Density Functional ◽

Broken Symmetry ◽

Functional Theory ◽

Symmetry Approach ◽

Exchange coupling behavior of cyano-bridged binuclear Fe(iii)–Ni(ii) complexes: a density functional theory combined with broken-symmetry approach

New Journal of Chemistry ◽

10.1039/b508802j ◽

2005 ◽

Vol 29 (10) ◽

pp. 1285 ◽

Cited By ~ 13

Author(s):

Yi-Quan Zhang ◽

Cheng-Lin Luo ◽

Zhi Yu

Keyword(s):

Exchange Coupling ◽

Density Functional ◽

Broken Symmetry ◽

Functional Theory ◽

Symmetry Approach ◽

Coupling Behavior ◽

Broken symmetry approach and density functional theory investigation on hetero-spin system consisting of copper(II) and aminoxyl radicals: Comparison and reliability of different basis sets approaches

10.1016/j.theochem.2008.11.002 ◽

2009 ◽

Vol 896 (1-3) ◽

pp. 54-62 ◽

Cited By ~ 5

Author(s):

Elnoor Abbakar Abdelrahman Noh ◽

Jingping Zhang

Keyword(s):

Spin System ◽

Density Functional ◽

Broken Symmetry ◽

Basis Sets ◽

Functional Theory ◽

Symmetry Approach ◽

Aminoxyl Radicals ◽

Magnetic Exchange Interactions in Oxo-Bridged Diiron(III) Systems: Density Functional Calculations Coupling the Broken Symmetry Approach

The Journal of Physical Chemistry A ◽

10.1021/jp010864m ◽

2001 ◽

Vol 105 (42) ◽

pp. 9710-9716 ◽

Cited By ~ 55

Author(s):

Zhida Chen ◽

Zhitao Xu ◽

Lei Zhang ◽

Feng Yan ◽

Zhenyang Lin

Keyword(s):

Density Functional Calculations ◽

Density Functional ◽

Exchange Interactions ◽

Broken Symmetry ◽

Magnetic Exchange ◽

Symmetry Approach ◽