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

2004 ◽  
Vol 43 (9) ◽  
pp. 2834-2844 ◽  
Author(s):  
Ekaterina M. Zueva ◽  
Henry Chermette ◽  
Serguei A. Borshch
Keyword(s):  
Exchange Coupling ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Matrix Density ◽  
Paramagnetic Ions

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

ChemInform ◽  
2004 ◽  
Vol 35 (26) ◽  
Author(s):  
Ekaterina M. Zueva ◽  
Henry Chermette ◽  
Serguei A. Borshch
Keyword(s):  
Exchange Coupling ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Matrix Density ◽  
Paramagnetic Ions

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

2005 ◽  
pp. 2624 ◽  
Author(s):  
Antonio Rodríguez-Fortea ◽  
Eliseo Ruiz ◽  
Santiago Alvarez ◽  
Pere Alemany
Keyword(s):  
Exchange Coupling ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

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

1998 ◽  
Vol 4 (3) ◽  
pp. 476-484 ◽  
Author(s):  
Joan Cano ◽  
Pere Alemany ◽  
Santiago Alvarez ◽  
Michel Verdaguer ◽  
Eliseo Ruiz
Keyword(s):  
Exchange Coupling ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

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

2001 ◽  
Vol 7 (3) ◽  
pp. 627-637 ◽  
Author(s):  
Antonio Rodríguez-Fortea ◽  
Pere Alemany ◽  
Santiago Alvarez ◽  
Eliseo Ruiz
Keyword(s):  
Exchange Coupling ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Dinuclear Copper

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

2005 ◽  
Vol 11 (16) ◽  
pp. 4767-4771 ◽  
Author(s):  
Eliseo Ruiz ◽  
Joan Cano ◽  
Santiago Alvarez
Keyword(s):  
Single Molecule ◽  
Exchange Coupling ◽  
Density Functional ◽  
Coupling Constants ◽  
Functional Study ◽  
Single Molecule Magnets ◽  
Density Functional Study

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

2003 ◽  
Vol 370 (1-2) ◽  
pp. 170-179 ◽  
Author(s):  
Xiang Sheng-Chang ◽  
Li Jun-Qian ◽  
Zhang Yong-Fan
Keyword(s):  
Exchange Coupling ◽  
Density Functional ◽  
Functional Study ◽  
Binuclear Copper ◽  
Density Functional Study

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

2002 ◽  
Vol 41 (14) ◽  
pp. 3769-3778 ◽  
Author(s):  
Antonio Rodríguez-Fortea ◽  
Pere Alemany ◽  
Santiago Alvarez ◽  
Eliseo Ruiz
Keyword(s):  
Exchange Coupling ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

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

Polyhedron ◽  
2001 ◽  
Vol 20 (11-14) ◽  
pp. 1323-1327 ◽  
Author(s):  
Eliseo Ruiz ◽  
Antonio Rodrı́guez-Fortea ◽  
Pere Alemany ◽  
Santiago Alvarez
Keyword(s):  
Exchange Coupling ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

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

10.1002/jcc.5 ◽  
1996 ◽  
Vol 17 (16) ◽  
pp. 1848-1856 ◽  
Author(s):  
Guntram Rauhut
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study
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