Contact Information
E-mail: xchen@theochem.kth.se
Office: +46 855 378 421
Fax : +46 855 378 590
Mobile: +46 735 950 538
Mailing address:
Department of Theoretical Chemistry and Biology
Royal Institute of Technology
Roslagstullsbacken 15
SE-106 91 Stockholm, Sweden
Research Interests
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* Molecular spectroscopies including magnetic and vibronically resolved spectra;
Excited state properites; Photophysics and photochemistry;
Nonadiabatic reaction rate constants
Eductional Background
2008.9 - Ph.D student, Department of Theoretical Chemistry and Biology
Royal Institute of Technology(KTH), Sweden
2005.9 - 2011.5, Ph.D, Quantum Chemistry, Center for Theoretical Chemistry, Deparment of Chemistry
Xiamen University, China. Supervisor: Prof. Zexing Cao
2001.9 - 2005.7, B.S., Chemistry, Henan University, China
Selected Publications
* Theoretical Studies on The Interactions of cations with diazine,
X. Chen, W. Wu, J. Zhang and Z. Cao, Chinese J. Struct. Chem., 22, 1321, 2006.
* Theoretical Study on The Singlet Excited State of Pterin and Its Deactivation Pathway,
X. Chen, X. Xu and Z.Cao, J. Phys. Chem. A, 111, 9255, 2007.
* Theoretical Study on the Dual Fluorescence of 2-(4-cyanophenyl)-N,N-dimethylaminoethane and Its Deactivation Pathway,
X. Chen, Y. Zhao and Z. Cao, J. Chem. Phys., 130, 144307, 2009.
* Zero-point Vibrational Corrections to Isotropic Hydrogen Hyperfine Constants in Polyatomic Molecules,
X. Chen, Z. Rinkevicius, Z. Cao, K. Ruud, O. Vahtras, H. Ågren, Phys. Chem. Chem. Phys., 13, 696, 2011.
* Role of the 3(ππ*) State in Photolysis of Lumisantonin: an Insight from ab initio Studies,
X. Chen, Z. Rinkevicius, Y. Luo, H. Ågren, Z. Cao, J. Phys. Chem. A, 115, 7815, 2011.
* Theoretical Studies on the Mechanism of Santonin Photo-Induced Rearrangement,
X. Chen, Z. Rinkevicius, Y. Luo, H. Ågren, Z. Cao, ChemPhyChem, 13, 353, 2012.
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