Caiyun Geng
6PUBLICATIONS
6CO-AUTHORS
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Publications (6)
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|Jun 12, 2025
Releasing the Guest Molecules in 2D Polyoxometalate-Based Metal-Organic Frameworks for Enhancing Proton Conductivity and Iodine Capturing.Guangqing Wang, Chaoyu Zhao, Ying Lu
|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
|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
|May 24, 2019
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.Tian Tian, Xiaoli Sun, Thomas Weiske
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