On the impact of multi-reference character of small transition metal compounds on their bond dissociation energies

Daniel Süß; Stefan E. Huber; Andreas Mauracher

doi:10.1063/1.5143495

On the impact of multi-reference character of small transition metal compounds on their bond dissociation energies

The Journal of Chemical Physics ◽

10.1063/1.5143495 ◽

2020 ◽

Vol 152 (11) ◽

pp. 114104 ◽

Cited By ~ 3

Author(s):

Daniel Süß ◽

Stefan E. Huber ◽

Andreas Mauracher

Keyword(s):

Transition Metal ◽

Transition Metal Compounds ◽

Bond Dissociation Energies ◽

Metal Compounds ◽

Bond Dissociation ◽

Dissociation Energies ◽

The Impact

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Prediction of Bond Dissociation Energies/Heats of Formation for Diatomic Transition Metal Compounds: CCSD(T) Works

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.6b00971 ◽

2017 ◽

Vol 13 (3) ◽

pp. 1057-1066 ◽

Cited By ~ 51

Author(s):

Zongtang Fang ◽

Monica Vasiliu ◽

Kirk A. Peterson ◽

David A. Dixon

Keyword(s):

Transition Metal ◽

Transition Metal Compounds ◽

Heats Of Formation ◽

Bond Dissociation Energies ◽

Metal Compounds ◽

Bond Dissociation ◽

Dissociation Energies

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Theoretical Prediction of Bond Dissociation Energies for Transition Metal Compounds and Main Group Complexes with Standard Quantum-Chemical Methods

Understanding Chemical Reactivity - Quantum-Mechanical Prediction of Thermochemical Data ◽

10.1007/0-306-47632-0_7 ◽

2005 ◽

pp. 199-233 ◽

Cited By ~ 4

Author(s):

Nikolaus Fröhlich ◽

Gernot Frenking

Keyword(s):

Transition Metal ◽

Theoretical Prediction ◽

Quantum Chemical ◽

Transition Metal Compounds ◽

Bond Dissociation Energies ◽

Chemical Methods ◽

Metal Compounds ◽

Standard Quantum ◽

Dissociation Energies ◽

Quantum Chemical Methods

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Determination and significance of transition metal-alkyl bond dissociation energies

Accounts of Chemical Research ◽

10.1021/ar00080a002 ◽

1982 ◽

Vol 15 (8) ◽

pp. 238-244 ◽

Cited By ~ 144

Author(s):

Jack Halpern

Keyword(s):

Transition Metal ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

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Substituent Effects on the Bond-Dissociation Energies of Cationic Arene−Transition-Metal Complexes

European Journal of Organic Chemistry ◽

10.1002/(sici)1099-0690(199804)1998:4<565::aid-ejoc565>3.0.co;2-j ◽

1998 ◽

Vol 1998 (4) ◽

pp. 565-571 ◽

Cited By ~ 23

Author(s):

Katrin Schroeter ◽

Ralf Wesendrup ◽

Helmut Schwarz

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Substituent Effects ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

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Bond dissociation energies of the diatomic late transition metal sulfides: RuS, OsS, CoS, RhS, IrS, and PtS

The Journal of Chemical Physics ◽

10.1063/5.0011754 ◽

2020 ◽

Vol 152 (24) ◽

pp. 244305 ◽

Cited By ~ 2

Author(s):

Jason J. Sorensen ◽

Erick Tieu ◽

Michael D. Morse

Keyword(s):

Transition Metal ◽

Metal Sulfides ◽

Late Transition Metal ◽

Bond Dissociation Energies ◽

Transition Metal Sulfides ◽

Bond Dissociation ◽

Dissociation Energies ◽

Late Transition

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A relativistic Kohn–Sham density functional procedure by means of direct perturbation theory. II. Application to the molecular structure and bond dissociation energies of transition metal carbonyls and related complexes

The Journal of Chemical Physics ◽

10.1063/1.472389 ◽

1996 ◽

Vol 105 (13) ◽

pp. 5485-5493 ◽

Cited By ~ 24

Author(s):

Christoph van Wüllen

Keyword(s):

Molecular Structure ◽

Perturbation Theory ◽

Transition Metal ◽

Density Functional ◽

Bond Dissociation Energies ◽

Metal Carbonyls ◽

Bond Dissociation ◽

Dissociation Energies ◽

Direct Perturbation ◽

Transition Metal Carbonyls

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Determination of metal-hydrogen bond dissociation energies by the deprotonation of transition metal hydride ions: application to MnH+

Chemical Physics Letters ◽

10.1016/0009-2614(81)80019-x ◽

1981 ◽

Vol 78 (2) ◽

pp. 291-295 ◽

Cited By ~ 8

Author(s):

Amy E. Stevens ◽

J.L. Beauchamp

Keyword(s):

Hydrogen Bond ◽

Transition Metal ◽

Metal Hydride ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies ◽

Transition Metal Hydride ◽

Hydride Ions

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Ligand effects on transition metal-alkyl bond dissociation energies

Journal of the American Chemical Society ◽

10.1021/ja00366a045 ◽

1982 ◽

Vol 104 (2) ◽

pp. 621-623 ◽

Cited By ~ 74

Author(s):

Flora T. T. Ng ◽

Garry L. Rempel

Keyword(s):

Transition Metal ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies ◽

Ligand Effects

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Homolytic and heterolytic bond dissociation energies of the second row group 8, 9, and 10 diatomic transition-metal hydrides: correlation with electronic structure

The Journal of Physical Chemistry ◽

10.1021/j100412a029 ◽

1986 ◽

Vol 90 (21) ◽

pp. 5015-5022 ◽

Cited By ~ 72

Author(s):

M. A. Tolbert ◽

J. L. Beauchamp

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Metal Hydrides ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies ◽

Transition Metal Hydrides

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The calculation of bond dissociation energies of transition metal complexes using isostructural reactions

Chemical Physics Letters ◽

10.1016/0009-2614(95)00759-w ◽

1995 ◽

Vol 242 (4-5) ◽

pp. 521-526 ◽

Cited By ~ 22

Author(s):

S. Dapprich ◽

U. Pidun ◽

A.W. Ehlers ◽

G. Frenking

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

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