'Perfect Match'—Combining Density Functional Calculations with Spectroscopic Characterization of Transition Metal Clusters

Magdalene A. Addicoat

doi:10.1071/ch05048

'Perfect Match'—Combining Density Functional Calculations with Spectroscopic Characterization of Transition Metal Clusters

Australian Journal of Chemistry ◽

10.1071/ch05048 ◽

2005 ◽

Vol 58 (7) ◽

pp. 564 ◽

Cited By ~ 1

Author(s):

Magdalene A. Addicoat

Keyword(s):

Transition Metal ◽

Density Functional Calculations ◽

Density Functional ◽

Metal Clusters ◽

Perfect Match ◽

Spectroscopic Characterization ◽

Transition Metal Clusters

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Electronic Structure of Naked, Ligated and Supported Transition Metal Clusters from‘First Principles’ Density Functional Calculations

Metal Clusters in Chemistry ◽

10.1002/9783527618316.ch4f ◽

2008 ◽

pp. 1392-1433 ◽

Cited By ~ 3

Author(s):

Gianfranco Pacchioni ◽

Sven Krger ◽

Notker Rsch

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Density Functional Calculations ◽

Density Functional ◽

Metal Clusters ◽

Transition Metal Clusters

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DENSITY FUNCTIONAL THEORY CALCULATION OF TRANSITION METAL CLUSTERS

Reviews of Modern Quantum Chemistry ◽

10.1142/9789812775702_0048 ◽

2002 ◽

pp. 1439-1475 ◽

Cited By ~ 6

Author(s):

Andreas M. Köster ◽

Patrizia Calaminici ◽

Zeferino Gómez ◽

Ulises Reveles

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Density Functional ◽

Metal Clusters ◽

Density Functional Theory Calculation ◽

Transition Metal Clusters ◽

Functional Theory ◽

Theory Calculation

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Combination of Lacunary Polyoxometalates and High-Nuclear Transition Metal Clusters under Hydrothermal Conditions. Part 3. Structure and Characterization of [Cu(enMe)2]2{ [Cu(enMe)2(H2O)]2 [Cu6(enMe)2 (B-a-SiW9O34)2]}×4H2O.

ChemInform ◽

10.1002/chin.200733022 ◽

2007 ◽

Vol 38 (33) ◽

Author(s):

Shou-Tian Zheng ◽

Da-Qiang Yuan ◽

Jie Zhang ◽

Guo-Yu Yang

Keyword(s):

Transition Metal ◽

Metal Clusters ◽

Nuclear Transition ◽

Transition Metal Clusters ◽

Hydrothermal Conditions

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Combination of Lacunary Polyoxometalates and High-Nuclear Transition Metal Clusters under Hydrothermal Conditions. 3. Structure and Characterization of [Cu(enMe)2]2{[Cu(enMe)2(H2O)]2[Cu6(enMe)2(B-a-SiW9O34)2]}·4H2O

Inorganic Chemistry ◽

10.1021/ic070160c ◽

2007 ◽

Vol 46 (11) ◽

pp. 4569-4574 ◽

Cited By ~ 91

Author(s):

Shou-Tian Zheng ◽

Da-Qiang Yuan ◽

Jie Zhang ◽

Guo-Yu Yang

Keyword(s):

Transition Metal ◽

Metal Clusters ◽

Nuclear Transition ◽

Transition Metal Clusters ◽

Hydrothermal Conditions

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BFW: A Density Functional for Transition Metal Clusters

The Journal of Physical Chemistry A ◽

10.1021/jp067752l ◽

2007 ◽

Vol 111 (13) ◽

pp. 2625-2628 ◽

Cited By ~ 6

Author(s):

Matthew A. Addicoat ◽

Mark A. Buntine ◽

Gregory F. Metha ◽

Andrew T. B. Gilbert ◽

Peter M. W. Gill

Keyword(s):

Transition Metal ◽

Density Functional ◽

Metal Clusters ◽

Transition Metal Clusters

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The study of isolobal displacement reactions. Synthesis and characterization of heteronuclear transition-metal clusters [(η5-RC5H4)(CO)2M] [(η5-R′C5H4)(CO)2M′]Fe(CO)3(μ3-S), [(η5-R′C5H4)(CO)2M′]2Fe(CO)3(μ3-S) (M,M′ = Mo or W) and [(η5-MeO2CC5H4)(CO)2W] [(η5-MeC(O)C5H4)(CO)2W]Fe(CO)3(μ3-S)

Polyhedron ◽

10.1016/0277-5387(95)00025-n ◽

1995 ◽

Vol 14 (15-16) ◽

pp. 2079-2085 ◽

Cited By ~ 10

Author(s):

Li-Cheng Song ◽

Jin-Yu Shen ◽

Qing-Mei Hu ◽

Xiang-Dong Qin

Keyword(s):

Transition Metal ◽

Metal Clusters ◽

Synthesis And Characterization ◽

Transition Metal Clusters ◽

Displacement Reactions

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13C NMR chemical-shift tensors of interstitial carbides in transition-metal clusters calculated by density-functional theory

Chemical Communications ◽

10.1039/cc9960001141 ◽

1996 ◽

pp. 1141 ◽

Cited By ~ 17

Author(s):

Martin Kaupp

Keyword(s):

Density Functional Theory ◽

Chemical Shift ◽

Transition Metal ◽

13C Nmr ◽

Density Functional ◽

Metal Clusters ◽

Transition Metal Clusters ◽

Functional Theory ◽

Chemical Shift Tensors ◽

Interstitial Carbides

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Spin Density Functional Approach to the Chemistry of Transition Metal Clusters

ACS Symposium Series - The Challenge of d and f Electrons ◽

10.1021/bk-1989-0394.ch016 ◽

1989 ◽

pp. 228-245 ◽

Cited By ~ 18

Author(s):

J. Andzelm ◽

E. Wimmer ◽

Dennis R. Salahub

Keyword(s):

Transition Metal ◽

Spin Density ◽

Density Functional ◽

Metal Clusters ◽

Functional Approach ◽

Transition Metal Clusters

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General spin orbital density functional study of transition metal clusters and complexes

Trends and Perspectives in Modern Computational Science ◽

10.1201/b12251-21 ◽

2006 ◽

pp. 286-293

Author(s):

S Yamanaka ◽

M Shoji ◽

K Koizumi ◽

R Takeda ◽

Y Kitagawa ◽

...

Keyword(s):

Transition Metal ◽

Density Functional ◽

Metal Clusters ◽

Functional Study ◽

Transition Metal Clusters ◽

Spin Orbital ◽

Density Functional Study ◽

Orbital Density

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CO adsorption on transition metal clusters: Trends from density functional theory

Surface Science ◽

10.1016/j.susc.2008.03.024 ◽

2008 ◽

Vol 602 (10) ◽

pp. 1858-1862 ◽

Cited By ~ 65

Author(s):

Constantinos D. Zeinalipour-Yazdi ◽

Andrew L. Cooksy ◽

Angelos M. Efstathiou

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Density Functional ◽

Metal Clusters ◽

Co Adsorption ◽

Transition Metal Clusters ◽

Functional Theory

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