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Helmut Schwarz

32PUBLICATIONS

22CO-AUTHORS

Radiation and matterTheoretical quantum chemistryFree radical chemistryCatalysis and mechanisms of reactionsElectronic and magnetic properties of condensed matter; superconductivity

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Publications (32)

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|Jun 23, 2020

Revisiting the Intriguing Electronic Features of the BeOBeC Carbyne and Some Isomers: A Quantum-Chemical Assessment.

Jilai Li, Caiyun Geng, Thomas Weiske

|Mar 18, 2020

On the Crucial Role of Isolated Electronic States in the Thermal Reaction of ReC<sup>+</sup> with Dihydrogen.

Jilai Li, Caiyun Geng, Thomas Weiske

|Feb 27, 2020

Counter-Intuitive Gas-Phase Reactivities of [V<sub>2</sub> ]<sup>+</sup> and [V<sub>2</sub> O]<sup>+</sup> towards CO<sub>2</sub> Reduction: Insight from Electronic Structure Calculations.

Jilai Li, Caiyun Geng, Thomas Weiske

|Oct 23, 2019

Direct Identification of Acetaldehyde Formation and Characterization of the Active Site in the [VPO<sub>4</sub> ]<sup>.+</sup> /C<sub>2</sub> H<sub>4</sub> Couple by Gas-Phase Vibrational Spectroscopy.

Ya-Ke Li, Sreekanta Debnath, Maria Schlangen

|Oct 09, 2019

Complete cleavage of the N≡N triple bond by Ta<sub>2</sub>N<sup>+</sup> via degenerate ligand exchange at ambient temperature: A perfect catalytic cycle.

Caiyun Geng, Jilai Li, Thomas Weiske

|Jul 04, 2019

A Reaction-Induced Localization of Spin Density Enables Thermal C-H Bond Activation of Methane by Pristine FeC<sub>4</sub><sup></sup>.

Caiyun Geng, Jilai Li, Thomas Weiske

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Frequent Collaborators

11 joint publications

Jilai Li

11 joint publications

Maria Schlangen

9 joint publications

Shaodong Zhou

5 joint publications

Caiyun Geng

5 joint publications

Thomas Weiske

4 joint publications

Sason Shaik

2 joint publications

Martin Kaupp

2 joint publications

Sreekanta Debnath

2 joint publications

Wieland Schöllkopf

2 joint publications

Knut R Asmis

Frequent Collaborators

11 joint publications

Jilai Li

11 joint publications

Maria Schlangen

9 joint publications

Shaodong Zhou

5 joint publications

Caiyun Geng

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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO<sub>2</sub> Reduction

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