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An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum

Xin Xu1, Jun Chen2, Shu Liu1

  • 1State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.

Journal of Computational Chemistry
|December 30, 2018
PubMed

Keywords:
H2 + SHdifferential cross sectionspotential energy surfacequantum dynamicstime-dependent wave packet

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