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Electronic structure and bonding in endohedral Zintl clusters

Chemical Society reviews, 2022-01, Vol.51 (2), p.628-649

2022

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Thermodynamics of phase transitions in Zintl clusters from density functional theory: making and breaking of bonds in Ba3Ge4

Physical chemistry chemical physics : PCCP, 2024-02, Vol.26 (9), p.7318-7328

2024

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Thermodynamics of phase transitions in Zintl clusters from density functional theory: making and breaking of bonds in Ba 3 Ge 4

Physical chemistry chemical physics : PCCP, 2024-02, Vol.26 (9), p.7318-7328

2024

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Solution-Based Group 14 Zintl Anions: New Frontiers and Discoveries

Accounts of chemical research, 2021-03, Vol.54 (6), p.1506-1516

2021

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C−F and C−H Bond Activation of Fluorobenzenes and Fluoropyridines at Transition Metal Centers: How Fluorine Tips the Scales

Accounts of chemical research, 2011-05, Vol.44 (5), p.333-348

2011

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Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2′-Bipyridyl-Ligated Gold Center

Journal of the American Chemical Society, 2018-03, Vol.140 (12), p.4440-4445

2018

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The structural landscape in 14-vertex clusters of silicon, M@Si14: when two bonding paradigms collide

Dalton transactions : an international journal of inorganic chemistry, 2017-09, Vol.46 (35), p.11636-11644

2017

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The structural landscape in 14-vertex clusters of silicon, M@Si 14 : when two bonding paradigms collide

Dalton transactions : an international journal of inorganic chemistry, 2017-09, Vol.46 (35), p.11636-11644

2017

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A linear metal-metal bonded tri-iron single-molecule magnet

Chemical communications (Cambridge, England), 2021-12, Vol.57 (98), p.13357-1336

2021

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The role of π-blocking hydride ligands in a pressure-induced insulator-to-metal phase transition in SrVO2H

Nature communications, 2017-10, Vol.8 (1), p.1-7, Article 1217

2017

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B(C6F5)3‐Enabled Synthesis of a Cyclic cis‐Arsaphosphene

Chemistry : a European journal, 2019-04, Vol.25 (21), p.5445-5450

2019

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On the structural landscape in endohedral silicon and germanium clusters, M@Si12 and M@Ge12

Dalton transactions : an international journal of inorganic chemistry, 2015-04, Vol.44 (15), p.6755-6766

2015

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Missing Link in the Growth of Lead-Based Zintl Clusters: Isolation of the Dimeric Plumbaspherene [Cu4Pb22]4

Journal of the American Chemical Society, 2022-05, Vol.144 (18), p.8007-8017

2022

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Evolution of Vibrational Spectra in the Manganese-Silicon Clusters Mn2Sin, n = 10, 12, and 13, and Cationic [Mn2Si13]

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-03, Vol.126 (10), p.1617-1626

2022

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A Zintl Cluster for Transition Metal-Free Catalysis: CO Bond Reductions

Journal of the American Chemical Society, 2022-11, Vol.144 (46), p.21213-21223

2022

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Synthesis and Characterization of [Fe 3 (As 3 ) 3 (As 4 )] 3- , a Binary Fe/As Zintl Cluster With an Fe 3 Core

Angewandte Chemie International Edition, 2023-03, Vol.62 (11), p.e202217316

2023

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Fe-Fe bonding in the rhombic Fe 4 cores of the Zintl clusters [Fe 4 E 18 ] 4- (E = Sn and Pb)

Chemical science (Cambridge), 2024-03, Vol.15 (13), p.4981-4988

2024

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Influence of Low-Symmetry Distortions on Electron Transport through Metal Atom Chains: When Is a Molecular Wire Really “Broken”?

Journal of the American Chemical Society, 2011-08, Vol.133 (32), p.12590-12599

2011

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Snap-shots of cluster growth: structure and properties of a Zintl ion with an Fe 3 core, [Fe 3 Sn 18 ] 4

Chemical science (Cambridge), 2024-01, Vol.15 (3), p.1018-1026

2024

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Mn2 Dimers Encapsulated in Silicon Cages: A Complex Challenge to MC-SCF Theory

Molecules (Basel, Switzerland), 2022-11, Vol.27 (21), p.7544

2022

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A family of lead clusters with precious metal cores

Nature communications, 2020-07, Vol.11 (1), p.3477-3477, Article 3477

2020

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Can heterometallic 1-dimensional chains support current rectification?

Chemical communications (Cambridge, England), 2013-01, Vol.49 (80), p.9116-9118

2013

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Synthesis and Characterization of [Fe3(As3)3(As4)]3−, a Binary Fe/As Zintl Cluster With an Fe3 Core

Angewandte Chemie International Edition, 2023-03, Vol.62 (11), p.e202217316-n/a

International ed. in English, 2023

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Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene

Chemical science (Cambridge), 2019-12, Vol.11 (3), p.862-869

2019

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Quantum chemical models for the absorption of endohedral clusters on Si(111)-(7 × 7): a subtle balance between W-Si and Si-Si bonding

Physical chemistry chemical physics : PCCP, 2019-06, Vol.21 (25), p.13686-13695

2019

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Electronic structure and bonding in endohedral Zintl clusters

Thermodynamics of phase transitions in Zintl clusters from density functional theory: making and breaking of bonds in Ba3Ge4

Thermodynamics of phase transitions in Zintl clusters from density functional theory: making and breaking of bonds in Ba 3 Ge 4

Solution-Based Group 14 Zintl Anions: New Frontiers and Discoveries

C−F and C−H Bond Activation of Fluorobenzenes and Fluoropyridines at Transition Metal Centers: How Fluorine Tips the Scales

Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2′-Bipyridyl-Ligated Gold Center

The structural landscape in 14-vertex clusters of silicon, M@Si14: when two bonding paradigms collide

The structural landscape in 14-vertex clusters of silicon, M@Si 14 : when two bonding paradigms collide

A linear metal-metal bonded tri-iron single-molecule magnet

The role of π-blocking hydride ligands in a pressure-induced insulator-to-metal phase transition in SrVO2H

B(C6F5)3‐Enabled Synthesis of a Cyclic cis‐Arsaphosphene

On the structural landscape in endohedral silicon and germanium clusters, M@Si12 and M@Ge12

Missing Link in the Growth of Lead-Based Zintl Clusters: Isolation of the Dimeric Plumbaspherene [Cu4Pb22]4

Evolution of Vibrational Spectra in the Manganese-Silicon Clusters Mn2Sin, n = 10, 12, and 13, and Cationic [Mn2Si13]

A Zintl Cluster for Transition Metal-Free Catalysis: CO Bond Reductions

Synthesis and Characterization of [Fe 3 (As 3 ) 3 (As 4 )] 3- , a Binary Fe/As Zintl Cluster With an Fe 3 Core

Fe-Fe bonding in the rhombic Fe 4 cores of the Zintl clusters [Fe 4 E 18 ] 4- (E = Sn and Pb)

Influence of Low-Symmetry Distortions on Electron Transport through Metal Atom Chains: When Is a Molecular Wire Really “Broken”?

Snap-shots of cluster growth: structure and properties of a Zintl ion with an Fe 3 core, [Fe 3 Sn 18 ] 4

Mn2 Dimers Encapsulated in Silicon Cages: A Complex Challenge to MC-SCF Theory

A family of lead clusters with precious metal cores

Can heterometallic 1-dimensional chains support current rectification?

Synthesis and Characterization of [Fe3(As3)3(As4)]3−, a Binary Fe/As Zintl Cluster With an Fe3 Core

Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene

Quantum chemical models for the absorption of endohedral clusters on Si(111)-(7 × 7): a subtle balance between W-Si and Si-Si bonding

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