Jilai Li
Changchun, 130023, China
Last Updated: 09/26/2026
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Found 34 publications
Experiment and Theory Clarify: Sc+ Receives One Oxygen Atom from SO2 to Form ScO+ , which Proves to be a Catalyst for the Hidden Oxygen-Exchange with SO2.
Journal: Chemphyschem : a European journal of chemical physics and physical chemistry
Published: October 27, 2021
Revisiting the Intriguing Electronic Features of the BeOBeC Carbyne and Some Isomers: A Quantum-Chemical Assessment.
Journal: Angewandte Chemie (International ed. in English)
Published: June 04, 2020
On the Crucial Role of Isolated Electronic States in the Thermal Reaction of ReC+ with Dihydrogen.
Journal: Angewandte Chemie (International ed. in English)
Published: January 31, 2020
Counter-Intuitive Gas-Phase Reactivities of [V2 ]+ and [V2 O]+ towards CO2 Reduction: Insight from Electronic Structure Calculations.
Journal: Angewandte Chemie (International ed. in English)
Published: January 23, 2020
Complete cleavage of the N≡N triple bond by Ta2N+ via degenerate ligand exchange at ambient temperature: A perfect catalytic cycle.
Journal: Proceedings of the National Academy of Sciences of the United States of America
Published: October 09, 2019
A Reaction-Induced Localization of Spin Density Enables Thermal C-H Bond Activation of Methane by Pristine FeC4.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany)
Published: June 05, 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.
Journal: Chemphyschem : a European journal of chemical physics and physical chemistry
Published: May 20, 2019
Ta2+-mediated ammonia synthesis from N2 and H2 at ambient temperature.
Journal: Proceedings of the National Academy of Sciences of the United States of America
Published: October 25, 2018
Oriented external electric fields as mimics for probing the role of metal ions and ligands in the thermal gas-phase activation of methane.
Journal: Dalton transactions (Cambridge, England : 2003)
Published: September 11, 2018
Control of Product Distribution and Mechanism by Ligation and Electric Field in the Thermal Activation of Methane.
Journal: Angewandte Chemie (International ed. in English)
Published: April 04, 2017
A Theoretical Study on Methane C-H Bond Activation by Bare [FeO]+/0/.
Journal: The journal of physical chemistry. A
Published: March 25, 2017
On the Origin of Reactivity Enhancement/Suppression upon Sequential Ligation: [Re(CO)x ]+ /CH4 (x=0-3) Couples.
Journal: Angewandte Chemie (International ed. in English)
Published: December 05, 2016
Last Updated: 09/26/2026