Supervisor of Doctorate Candidates
Supervisor of Master's Candidates
School/Department:现代物理研究所
Business Address:物理楼802室
Alma Mater:南开大学
Discipline:Atomic and Molecular Physics
Theoretical Physics
Condensed Matter Physics
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Local vibrational modes
Local vibrational modes
[1] W. Zou, R. Kalescky, E. Kraka, and D. Cremer, Relating Normal Vibrational Modes to Local Vibrational Modes with the help of an Adiabatic Connection Scheme, J. Chem. Phys. 137, 084114 (2012).
[2] W. Zou, T. Sexton, E. Kraka, M. Freindorf, and D. Cremer, A New Method for Describing the Mechanism of a Chemical Reaction Based on the Unified Reaction Valley Approach, J. Chem. Theory Comput. 12 (2), 650-663 (2016).
[3] W. Zou, Y. Tao, M. Freindorf, and E. Kraka, Local vibrational force constants - from the assessment of empirical force constants to the description of bonding in large systems, Chem. Phys. Lett. 748, 137337 (2020).
[4] E. Kraka, W. Zou, and Y. Tao, Decoding Chemical Information from Vibrational Spectroscopy Data - Local Vibrational Mode Theory, WIREs Comput. Mol. Sci. 10, e1480 (2020).
