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)

|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+ with Dihydrogen.

Jilai Li, Caiyun Geng, Thomas Weiske

|Feb 27, 2020
Counter-Intuitive Gas-Phase Reactivities of [V2 ]+ and [V2 O]+ towards CO2 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 [VPO4 ].+ /C2 H4 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 Ta2N+ 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 FeC4.

Caiyun Geng, Jilai Li, Thomas Weiske

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