Density Functional Calculations of Magnetic Exchange Interactions in Polynuclear Transition Metal Complexes

Alessandro Bencini; Federico Totti; Claude A. Daul; Karel Doclo; Piercarlo Fantucci; Vincenzo Barone

doi:10.1021/ic961448x

Density Functional Calculations of Magnetic Exchange Interactions in Polynuclear Transition Metal Complexes

Inorganic Chemistry ◽

10.1021/ic961448x ◽

1997 ◽

Vol 36 (22) ◽

pp. 5022-5030 ◽

Cited By ~ 148

Author(s):

Alessandro Bencini ◽

Federico Totti ◽

Claude A. Daul ◽

Karel Doclo ◽

Piercarlo Fantucci ◽

...

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Functional Calculations ◽

Density Functional ◽

Exchange Interactions ◽

Magnetic Exchange

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Density Functional Calculations of EPR Parameter g Tensors of Some Transition Metal Complexes

Indian Journal Of Applied Research ◽

10.15373/2249555x/nov2012/52 ◽

2011 ◽

Vol 2 (2) ◽

pp. 139-141

Author(s):

Vinita Prajapati ◽

◽

P.L.Verma P.L.Verma ◽

Dhirendra Prajapati ◽

B.K.Gupta B.K.Gupta

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Functional Calculations ◽

Density Functional

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Magnetic exchange interactions in binuclear transition-metal complexes bridged by imidazolate, benzimidazolate, biimidazolate, and bibenzimidazolate ions

Inorganic Chemistry ◽

10.1021/ic50187a052 ◽

1978 ◽

Vol 17 (9) ◽

pp. 2622-2630 ◽

Cited By ~ 89

Author(s):

Muin S. Haddad ◽

David N. Hendrickson

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Exchange Interactions ◽

Magnetic Exchange

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Density Functional Calculations on Electronic Circular Dichroism Spectra of Chiral Transition Metal Complexes

Inorganic Chemistry ◽

10.1021/ic020580w ◽

2003 ◽

Vol 42 (9) ◽

pp. 2867-2877 ◽

Cited By ~ 61

Author(s):

Jochen Autschbach ◽

Francisco E. Jorge ◽

Tom Ziegler

Keyword(s):

Circular Dichroism ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Functional Calculations ◽

Density Functional ◽

Circular Dichroism Spectra ◽

Electronic Circular Dichroism ◽

Chiral Transition ◽

Circular Dichroïsm

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ChemInform Abstract: MAGNETIC EXCHANGE INTERACTIONS IN BINUCLEAR TRANSITION-METAL COMPLEXES. 16. BINUCLEAR FERRIC COMPLEXES FROM THE REACTION OF IRON(II)(SALEN) WITH P-QUINONES

Chemischer Informationsdienst ◽

10.1002/chin.197850289 ◽

1978 ◽

Vol 9 (50) ◽

Author(s):

S. L. KESSEL ◽

D. N. HENDRICKSON

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Exchange Interactions ◽

Magnetic Exchange

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Magnetic-exchange interactions in binuclear transition-metal complexes. 19. Imidazolate- and biimidazolate-bridged copper(II) complexes. Crystal structure of .mu.-biimidazolato-bis(1,1,4,7,7-pentamethyldiethylenetriamine)dicopper(II) tetraphenylborate

Inorganic Chemistry ◽

10.1021/ic50191a030 ◽

1979 ◽

Vol 18 (1) ◽

pp. 141-148 ◽

Cited By ~ 47

Author(s):

Muin S. Haddad ◽

Eileen N. Duesler ◽

David N. Hendrickson

Keyword(s):

Crystal Structure ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Exchange Interactions ◽

Magnetic Exchange

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Accurate magnetic exchange couplings in transition-metal complexes from constrained density-functional theory

The Journal of Chemical Physics ◽

10.1063/1.2145878 ◽

2006 ◽

Vol 124 (2) ◽

pp. 024103 ◽

Cited By ~ 78

Author(s):

Indranil Rudra ◽

Qin Wu ◽

Troy Van Voorhis

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Functional ◽

Magnetic Exchange ◽

Functional Theory

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ChemInform Abstract: Magnetic Exchange Interactions in Binuclear Transition-Metal Complexes of a Binucleating Clathrochelate Ligand.

Chemischer Informationsdienst ◽

10.1002/chin.198611316 ◽

1986 ◽

Vol 17 (11) ◽

Author(s):

M. D. TIMKEN ◽

W. A. MARRITT ◽

D. N. HENDRICKSON ◽

R. A. GAGNE ◽

E. SINN

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Exchange Interactions ◽

Magnetic Exchange

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ChemInform Abstract: MAGNETIC EXCHANGE INTERACTIONS IN BINUCLEAR TRANSITION-METAL COMPLEXES. 20. VARIATION IN MAGNETIC EXCHANGE INTERACTION FOR A SERIES OF METAL(II) COMPLEXES OF A BINUCLEATING LIGAND

Chemischer Informationsdienst ◽

10.1002/chin.198002059 ◽

1980 ◽

Vol 11 (2) ◽

Author(s):

S. L. LAMBERT ◽

D. N. HENDRICKSON

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Exchange Interaction ◽

Transition Metal Complexes ◽

Exchange Interactions ◽

Magnetic Exchange Interaction ◽

Magnetic Exchange

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ChemInform Abstract: MAGNETIC-EXCHANGE INTERACTIONS IN BINUCLEAR TRANSITION-METAL COMPLEXES. 19. IMIDAZOLATE- AND BIIMIDAZOLATE-BRIDGED COPPER(II) COMPLEXES. CRYSTAL STRUCTURE OF μ-BIIMIDAZOLATO-BIS(1,1,4,7,7-PENTAMETHYLDIETHYLENETRIAMINE)DICOPPER(II) TET

Chemischer Informationsdienst ◽

10.1002/chin.197915075 ◽

1979 ◽

Vol 10 (15) ◽

Author(s):

M. S. HADDAD ◽

E. N. DUESLER ◽

D. N. HENDRICKSON

Keyword(s):

Crystal Structure ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Exchange Interactions ◽

Magnetic Exchange

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Magnetic exchange interactions in binuclear transition-metal complexes. 17. Benzidine and p-phenylenediamine, extended aromatic diamine bridging ligands in binuclear copper(II) 2,2',2''-triaminotriethylamine and vanadyl bis(hexafluoroacetylacetonate) complexes

Inorganic Chemistry ◽

10.1021/ic50187a054 ◽

1978 ◽

Vol 17 (9) ◽

pp. 2636-2648 ◽

Cited By ~ 52

Author(s):

Timothy R. Felthouse ◽

David N. Hendrickson

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Exchange Interactions ◽

Aromatic Diamine ◽

Binuclear Copper ◽

Magnetic Exchange ◽

Bridging Ligands

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