Density functional study of the exchange coupling in distorted cubane complexes containing the Cu4O4 core

Exchange coupling in µ-aqua:µ-oxo vs. di-µ-hydroxo dinuclear Cu(ii) compounds: a density functional study

Dalton Transactions ◽

10.1039/b503589a ◽

2005 ◽

pp. 2624 ◽

Cited By ~ 12

Author(s):

Antonio Rodríguez-Fortea ◽

Eliseo Ruiz ◽

Santiago Alvarez ◽

Pere Alemany

Keyword(s):

Exchange Coupling ◽

Density Functional ◽

Functional Study ◽

Exchange Coupling in Oxalato-Bridged Copper(II) Binuclear Compounds: A Density Functional Study

Chemistry - A European Journal ◽

10.1002/(sici)1521-3765(19980310)4:3<476::aid-chem476>3.0.co;2-8 ◽

1998 ◽

Vol 4 (3) ◽

pp. 476-484 ◽

Cited By ~ 116

Author(s):

Joan Cano ◽

Pere Alemany ◽

Santiago Alvarez ◽

Michel Verdaguer ◽

Eliseo Ruiz

Keyword(s):

Exchange Coupling ◽

Density Functional ◽

Functional Study ◽

Exchange Coupling in Carboxylato-Bridged Dinuclear Copper(II) Compounds: A Density Functional Study

Chemistry - A European Journal ◽

10.1002/1521-3765(20010202)7:3<627::aid-chem627>3.0.co;2-i ◽

2001 ◽

Vol 7 (3) ◽

pp. 627-637 ◽

Cited By ~ 244

Author(s):

Antonio Rodríguez-Fortea ◽

Pere Alemany ◽

Santiago Alvarez ◽

Eliseo Ruiz

Keyword(s):

Exchange Coupling ◽

Density Functional ◽

Functional Study ◽

Dinuclear Copper

Density Functional Study of Exchange Coupling Constants in Single-Molecule Magnets: The Fe8 Complex

Chemistry - A European Journal ◽

10.1002/chem.200500041 ◽

2005 ◽

Vol 11 (16) ◽

pp. 4767-4771 ◽

Cited By ~ 29

Author(s):

Eliseo Ruiz ◽

Joan Cano ◽

Santiago Alvarez

Keyword(s):

Single Molecule ◽

Exchange Coupling ◽

Density Functional ◽

Coupling Constants ◽

Functional Study ◽

Single Molecule Magnets ◽

Effect of halogen displacements on the exchange coupling in methyloxo-bridged binuclear copper (II) complexes: a density functional study

Chemical Physics Letters ◽

10.1016/s0009-2614(03)00088-5 ◽

2003 ◽

Vol 370 (1-2) ◽

pp. 170-179 ◽

Cited By ~ 5

Author(s):

Xiang Sheng-Chang ◽

Li Jun-Qian ◽

Zhang Yong-Fan

Keyword(s):

Exchange Coupling ◽

Density Functional ◽

Functional Study ◽

Binuclear Copper ◽

Ab Initio (Density Functional) Study of the Exchange Coupling Constant in Di-μ-oxo-Bridged Copper(II) Dimers: A Valence Bond/Broken Symmetry Approach

The Journal of Physical Chemistry A ◽

10.1021/jp993535r ◽

2000 ◽

Vol 104 (10) ◽

pp. 2091-2097 ◽

Cited By ~ 39

Author(s):

Catherine Blanchet-Boiteux ◽

Jean-Marie Mouesca

Keyword(s):

Ab Initio ◽

Exchange Coupling ◽

Density Functional ◽

Valence Bond ◽

Broken Symmetry ◽

Functional Study ◽

Coupling Constant ◽

Symmetry Approach ◽

Broken Symmetry Approach

Exchange Coupling in Halo-Bridged Dinuclear Cu(II) Compounds: A Density Functional Study

Inorganic Chemistry ◽

10.1021/ic011308+ ◽

2002 ◽

Vol 41 (14) ◽

pp. 3769-3778 ◽

Cited By ~ 96

Author(s):

Antonio Rodríguez-Fortea ◽

Pere Alemany ◽

Santiago Alvarez ◽

Eliseo Ruiz

Keyword(s):

Exchange Coupling ◽

Density Functional ◽

Functional Study ◽

Exchange Coupling of Paramagnetic Ions in a Polyoxometalate Matrix: Density Functional Study of Diiron(III) Substituted γ-Silicotungstates

Inorganic Chemistry ◽

10.1021/ic035161t ◽

2004 ◽

Vol 43 (9) ◽

pp. 2834-2844 ◽

Cited By ~ 12

Author(s):

Ekaterina M. Zueva ◽

Henry Chermette ◽

Serguei A. Borshch

Keyword(s):

Exchange Coupling ◽

Density Functional ◽

Functional Study ◽

Matrix Density ◽

Paramagnetic Ions

Exchange Coupling of Paramagnetic Ions in a Polyoxometalate Matrix: Density Functional Study of Diiron(III) Substituted γ-Silicotungstates.

ChemInform ◽

10.1002/chin.200426003 ◽

2004 ◽

Vol 35 (26) ◽

Author(s):

Ekaterina M. Zueva ◽

Henry Chermette ◽

Serguei A. Borshch

Keyword(s):

Exchange Coupling ◽

Density Functional ◽

Functional Study ◽

Matrix Density ◽

Paramagnetic Ions

Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Cited By ~ 2

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽