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Lei Song

Post-Doc in the Group of Prof. Dr. J. Kästner

Room 1.833
Phone +49-(0)711-685-69061
Telefax +49-(0)711-685 64442
E-Mail E-Mail
Adress Universität Stuttgart
Institut für Theoretische Chemie
Pfaffenwaldring 55
D-70569 Stuttgart


Research Areas:

Ab initio potential energy surfaces for small van der Waals complexes

Quantum scattering calculation for inelastic collisions of gas-phase astrochemical systems

Collisional rate coefficients for astrochemical systems

Ab initio quantum chemistry calculation about the reaction pathway


  1. Lei Song and Johannes Kästner, "Formation of the prebiotic molecule NH2CHO on astronomical amorphous solid water surfaces: accurate tunneling rate calculations", Phys. Chem. Chem. Phys., 18, 29278–29285 (2016)
  2. Lei Song, Gerrit C. Groenenboom, Ad van der Avoird, Chandan Kumar Bishwakarma, Gautam Sarma, David H. Parker, and Arthur G. Suits "Inelastic Scattering of CO with He: Polarization Dependent Differential State-to-State Cross Sections", J. Phys. Chem. A, 2015, 119 (50), pp 12526–12537.
  3. Lei Song, N. Balakrishnan, Ad van der Avoird, Tijs Karman, and Gerrit C. Groenenboom, "Quantum scattering calculations for ro-vibrational de-excitation of CO by hydrogen atoms", J. Chem. Phys. 142, 204303 (2015).
  4. Lei Song, N. Balakrishnan, Kyle M. Walker, Phillip C. Stancil, Ad van der Avoird, and Gerrit C. Groenenboom, "Quantum calculation of inelastic CO collision with H. III. Rate coefficients for ro-vibrational transitions", Astrophys. J. 813, 1, 96 (2015).
  5. K.M. Walker, Lei Song, B. H. Yang, G. C. Groenenboom, A. van der Avoird, N. Balakrishnan, R. C. Forrey, and P. C. Stancil, "Quantum calculation of inelastic CO collision with H. II. Pure rotation quenching of high rotational levels", Astrophys. J, 811, 1, 27 (2015).
  6. Arthur G. Suits, Chandan Kumar Bishwakarma, Lei Song, Gerrit C. Groenenboom, Ad van der Avoird, and David A. Parker, "Direct extraction of alignment moments from inelastic scattering images", J. Phys. Chem. A 119, 5925 (2015)
  7. Lei Song, Ad van der Avoird, and Gerrit C. Groenenboom, "Three-dimensional ab initio potential energy surface for H-CO(2A′)", J. Phys. Chem. A 117, 7571 (2013)
  8. Lei Song, Feng Yu, Lixia Wu, Xiaoguo Zhou, and Shilin Liu, "Anionic production channels involved in the reaction of OH- and CH2ClF", Acta Phys. Chim. Sin. 27(04), 801 (2011)
  9. Mingli Niu, Lei Song, Xiaofeng Tang, Xiaoguo Zhou, Shilin Liu, Fuyi Liu, Xiaobin Shan, and  Liusi Sheng, "Dissociation Dynamics of O+ Formation Channels from Vibrational State-Selected NO2+ at e3B2 State" Acta Phys. Chim. Sin. 27(08), 1797 (2011)
  10. Feng Yu, Lixia Wu, Lei Song, Xiaoguo Zhou, and Shilin Liu, "Dynamic reaction pathways of anionic products on the exit-channel potential energy surface for the reaction of O- with C2H4", J. Mol. Struct. (THEOCHEM) 958(1-3), 41 (2010)
   11. Lixia Wu, Feng Yu, Lei Song, Xiaoguo Zhou, and Shilin Liu, "Theoretical investigation of the reaction mechanism of atomic oxygen radical anion with pyridine", J. Mol. Struct. (THEOCHEM) 958(1-3), 82 (2010)
  12. Jinda Sun, Xiaobin Shan, Fuyi Liu, Liusi Sheng, Xiaofeng Tang, Mingli Niu, Lei Song, Xiaoguo Zhou, and Shilin Liu, "Threshold photoelectron-photoion coincidence imaging study of dissociation dynamic of NO+ at c 3Π(v′=0) state", Chin. J. Chem. Phys. 23(5), 509 (2010)
  13. Mingli Niu, Xiaofeng Tang, Lei Song, Xiaoguo Zhou, and Shilin Liu, "Image processing of 3D time slice image based on matrix method" Invention Patent Publication NO.: CN101859431B (2010)