The current position: Theoretical and Physical Chemistry
Ya-Jun Liu

Published Date: 2017-08-31

Ya-Jun Liu

Ya-Jun Liu English


Professor and Supervisor for Ph.D. candidates, Ph. D (University of Science and Technology of China ), Postdoctor (Uppsala University and Lund University, Sweden)

Postal address: College of Chemistry, Beijing Normal University, Xinjiekouwaidajie 19, Beijing, 100875, China

Phone: +86-10-5880 1160; Fax: +86-10-5880 1160

Group homepage:



Chemoinformatics, Group theory and Chemistry, and Physical Chemistry Experiment

Research Interests

Computational photochemistry and photobiology

Representative papers

  1. Feng-Yi Liu, Ya-Jun Liu*, Luca De Vico, Roland Lindh*, A Theoretical Study of the Chemiluminescent Decomposition of Dioxetanone, J. Am. Chem. Soc. 131, 6181–6188 (2009)
  2. Isabelle Navizet, Ya-Jun Liu*, Nicolas Ferré, Hong-Yan Xiao, Wei-Hai Fang*, and Roland Lindh*, Color-Tuning Mechanism of Firefly Investigated by Multi-Configurational Perturbation Method, J. Am. Chem. Soc. 132, 706–712 (2010).
  3. Ya-Jun Liu,* Daniel Roca-Sanjuán and Roland Lindh, Computational Photochemistry and Photophysics: the state of the art, Specialist Periodical Reports: Photochemistry, 40, 42-72 (2012)
  4. Ling Yue, Ya-Jun Liu* and Wei-Hai Fang*, Mechanistic Insight into the Chemiluminescent Decomposition of Firefly Dioxetanone, J. Am. Chem. Soc. 134, 11632–11639 (2012)
  5. Bo-Wen Ding, Ya-Jun Liu*, Bioluminescence of Firefly Squid via Mechanism of Single Electron-Transfer Oxygenation and Charge-Transfer-Induced Luminescence, J. Am. Chem. Soc. 139, 1106−1119 (2017)

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