Caiyun Geng

Publication Activity (10 Years)

Years Active: 2019-2020
Publications (10 Years): 5

Top Topics

Density Functional Theory

Electron Transfer

Top Venues

Angewandte Chemie (International ed. in English)

Chemphyschem : a European journal of chemical physics and physical chemistry

Chemistry (Weinheim an der Bergstrasse, Germany)

This page only lists publications with an associated author ORCID identifier.

Publications

Jilai Li, Caiyun Geng, Thomas Weiske, Mingfei Zhou, Jun Li, Helmut Schwarz
Revisiting the Intriguing Electronic Features of the BeOBeC Carbyne and Some Isomers: A Quantum-Chemical Assessment. Angewandte Chemie (International ed. in English) 59 (39) (2020)
Jilai Li, Caiyun Geng, Thomas Weiske, Helmut Schwarz
On the Crucial Role of Isolated Electronic States in the Thermal Reaction of ReC+ with Dihydrogen. Angewandte Chemie (International ed. in English) 59 (24) (2020)
Jilai Li, Caiyun Geng, Thomas Weiske, Helmut Schwarz
Counter-Intuitive Gas-Phase Reactivities of [V2 ]+ and [V2 O]+ towards CO2 Reduction: Insight from Electronic Structure Calculations. Angewandte Chemie (International ed. in English) 59 (30) (2020)
Tian Tian, Xiaoli Sun, Thomas Weiske, Yuxi Cai, Caiyun Geng, Jilai Li, Helmut Schwarz
Reassessment of the Mechanisms of Thermal C-H Bond Activation of Methane by Cationic Magnesium Oxides: A Critical Evaluation of the Suitability of Different Density Functionals. Chemphyschem : a European journal of chemical physics and physical chemistry 20 (14) (2019)
Caiyun Geng, Jilai Li, Thomas Weiske, Helmut Schwarz
A Reaction-Induced Localization of Spin Density Enables Thermal C-H Bond Activation of Methane by Pristine FeC4. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (56) (2019)