A Density Functional Study of Metal−Ligand Bonding in [(PR3)2M]+and [PR3MCl] (M = Ag, Au; R = H, Me) Complexes

Graham A. Bowmaker; Hubert Schmidbaur; Sven Krüger; Notker Rösch

doi:10.1021/ic9609766

A Density Functional Study of Metal−Ligand Bonding in [(PR3)2M]+and [PR3MCl] (M = Ag, Au; R = H, Me) Complexes

Inorganic Chemistry ◽

10.1021/ic9609766 ◽

1997 ◽

Vol 36 (9) ◽

pp. 1754-1757 ◽

Cited By ~ 30

Author(s):

Graham A. Bowmaker ◽

Hubert Schmidbaur ◽

Sven Krüger ◽

Notker Rösch

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Metal Ligand

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Relativistic Effects on Metal-Ligand Bond Strengths in .pi.-Complexes: Quasi-Relativistic Density Functional Study of M(PH3)2X2 (M = Ni, Pd, Pt; X2 = O2, C2H2, C2H4) and M(CO)4(C2H4) (M = Fe, Ru, Os)

Inorganic Chemistry ◽

10.1021/ic00116a017 ◽

1995 ◽

Vol 34 (12) ◽

pp. 3245-3252 ◽

Cited By ~ 50

Author(s):

Jian Li ◽

Georg Schreckenbach ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Density Functional Study ◽

Bond Strengths ◽

Pi Complexes ◽

Metal Ligand ◽

Ligand Bond

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Density Functional Study of the Electronic Structures of [Co(NH3)5X](3+n)+Complexes. Insight into the Role of the 3d and 4s Orbitals in Metal−Ligand Interactions

The Journal of Physical Chemistry A ◽

10.1021/jp962201o ◽

1997 ◽

Vol 101 (23) ◽

pp. 4196-4201 ◽

Cited By ~ 5

Author(s):

Jerry C. C. Chan ◽

Philip J. Wilson ◽

Steve C. F. Au-Yeung ◽

Graham A. Webb

Keyword(s):

Electronic Structures ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Ligand Interactions ◽

Insight Into ◽

Metal Ligand

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Synthesis, Structure, and Physicochemical Properties of ((Ethylsulfanyl)porphyrazinato)cobalt(II). Metal−Ligand Bonds in Co(OESPz) and in Related Cobalt(II) Tetrapyrroles: Insights from a Density Functional Study

Inorganic Chemistry ◽

10.1021/ic9811547 ◽

1999 ◽

Vol 38 (7) ◽

pp. 1422-1431 ◽

Cited By ~ 25

Author(s):

Giampaolo Ricciardi ◽

Angela Rosa ◽

Ilaria Ciofini ◽

Alessandro Bencini

Keyword(s):

Physicochemical Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Metal Ligand

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The [2+2] Addition of Ethylene to Metal−Ligand Multiple Bonds: A Density Functional Study of Mo(E)OCl2

Organometallics ◽

10.1021/om980390m ◽

1998 ◽

Vol 17 (26) ◽

pp. 5901-5907 ◽

Cited By ~ 19

Author(s):

Kereen Monteyne ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Functional Study ◽

Multiple Bonds ◽

Density Functional Study ◽

Metal Ligand

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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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Density functional study of non-isothermal hard sphere fluids

Molecular Physics ◽

10.1080/00268976.2021.1875077 ◽

2021 ◽

pp. e1875077

Author(s):

Wenhan Jia ◽

Isamu Kusaka

Keyword(s):

Hard Sphere ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Charge transport properties in functionalized triphenylene and coronene derivatives: a density functional study using different functionals

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2020.1870201 ◽

2021 ◽

pp. 1-15

Author(s):

Ziran Chen ◽

Yujin Zhang ◽

Yuan Li ◽

Wenhao Yu

Keyword(s):

Charge Transport ◽

Transport Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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