Density functional study of the magnetic coupling inV(TCNE)2

Giulia C. De Fusco; Leonardo Pisani; Barbara Montanari; Nicholas M. Harrison

doi:10.1103/physrevb.79.085201

Density functional study of the magnetic coupling inV(TCNE)2

Physical Review B ◽

10.1103/physrevb.79.085201 ◽

2009 ◽

Vol 79 (8) ◽

Cited By ~ 30

Author(s):

Giulia C. De Fusco ◽

Leonardo Pisani ◽

Barbara Montanari ◽

Nicholas M. Harrison

Keyword(s):

Density Functional ◽

Magnetic Coupling ◽

Functional Study ◽

Density Functional Study

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Magnetic Coupling in End-On Azido-Bridged Transition Metal Complexes: A Density Functional Study

Journal of the American Chemical Society ◽

10.1021/ja981661n ◽

1998 ◽

Vol 120 (43) ◽

pp. 11122-11129 ◽

Cited By ~ 504

Author(s):

Eliseo Ruiz ◽

Joan Cano ◽

Santiago Alvarez ◽

Pere Alemany

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Functional ◽

Magnetic Coupling ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of Magnetic Coupling Parameters: F and H Hyperfine Splitting Constants for the Prototype Inorganic (d1) and Organic (p1) Radicals TiF3and CH3

The Journal of Physical Chemistry A ◽

10.1021/jp983891u ◽

1999 ◽

Vol 103 (19) ◽

pp. 3732-3744 ◽

Cited By ~ 8

Author(s):

Paola Belanzoni ◽

Evert Jan Baerends ◽

Michiel Gribnau

Keyword(s):

Hyperfine Splitting ◽

Density Functional ◽

Magnetic Coupling ◽

Functional Study ◽

Density Functional Study ◽

Coupling Parameters

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Magnetic Coupling Constants and Spin Density Maps for Heterobinuclear Complexes GdCu(OTf)3(bdmap)2(H2O)·THF, [Gd(C4H7ON)4(H2O)3][Fe(CN)6]·2H2O, and [Gd(C4H7ON)4(H2O)3][Cr(CN)6]·2H2O: A Density Functional Study

The Journal of Physical Chemistry A ◽

10.1021/jp994093m ◽

2000 ◽

Vol 104 (26) ◽

pp. 6295-6300 ◽

Cited By ~ 35

Author(s):

Feng Yan ◽

Zhida Chen

Keyword(s):

Spin Density ◽

Density Functional ◽

Magnetic Coupling ◽

Coupling Constants ◽

Functional Study ◽

Density Functional Study ◽

Density Maps

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One Ferromagnetic and Two Antiferromagnetic Dinuclear Nickel(II) Complexes Derived from a Tridentate N,N,O-Donor Schiff Base Ligand: A Density Functional Study of Magnetic Coupling

European Journal of Inorganic Chemistry ◽

10.1002/ejic.201200028 ◽

2012 ◽

Vol 2012 (17) ◽

pp. 2916-2927 ◽

Cited By ~ 43

Author(s):

Rituparna Biswas ◽

Sanjib Giri ◽

Shyamal K. Saha ◽

Ashutosh Ghosh

Keyword(s):

Schiff Base ◽

Schiff Base Ligand ◽

Density Functional ◽

Magnetic Coupling ◽

Functional Study ◽

Density Functional Study

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Magnetic coupling in the cluster Fe2Mn4 : A fully unconstrained density-functional study

Solid State Communications ◽

10.1016/j.ssc.2006.08.048 ◽

2006 ◽

Vol 140 (9-10) ◽

pp. 480-482 ◽

Cited By ~ 3

Author(s):

R.C. Longo ◽

E.G. Noya ◽

A. Vega ◽

L.J. Gallego

Keyword(s):

Density Functional ◽

Magnetic Coupling ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of Magnetic Coupling Parameters. Reconciling Theory and Experiment for the TiF3 Complex

The Journal of Physical Chemistry ◽

10.1021/j100035a009 ◽

1995 ◽

Vol 99 (35) ◽

pp. 13094-13102 ◽

Cited By ~ 21

Author(s):

Paola Belanzoni ◽

Evert Jan Baerends ◽

Sam van Asselt ◽

Peter B. Langewen

Keyword(s):

Density Functional ◽

Magnetic Coupling ◽

Functional Study ◽

Density Functional Study ◽

Coupling Parameters ◽

Theory And Experiment

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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 ◽

Density Functional Study

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Density Functional Study of the First-Row Transition-Metal Monoxides*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.039 ◽

1996 ◽

Vol 1 (1) ◽

pp. 39-49

Author(s):

J. Piechota ◽

M. Suffczyński

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Predicted structures and electronic properties of gallium-indium clusters GamInn–m (n = 4, 6, 8 and m < n): A density functional study

Журнал структурной химии ◽

10.26902/jsc20180501 ◽

2018 ◽

Vol 59 (5) ◽

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

The Journal of Chemical Physics ◽

10.1063/1.2831583 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094307 ◽

Cited By ~ 51

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

3D Elements

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