科研绘图邦图文化论文配图杂志封面设计医学插画
2020-02-10 11:07:25
- 为大连理工大学设计的PCCP杂志封面，The N + ( 3 P) + H 2 (X 1 S +
g ) - NH + (X 2 P) + H( 2 S) reaction is important for initiating the chain reaction of
ammonia synthesis in the universe. To study the dynamics of this reaction, a global accurate potential
energy surface (PES) of the ground state NH +
2 was constructed by combining numerous high-level ab initio
energy points with the permutation invariant polynomial neural network method. Utilizing this newly
constructed PES, time-dependent wave packet calculations were performed on the state-to-state reactions
of N + ( 3 P 0 ) + H 2 (v = 0, j = 0) and N + ( 3 P 0 ) + D 2 (v = 0, j = 0) in order to study the microscopic reaction
mechanisms and dynamical isotope effects. Isotope effects have a significant influence on the rovibrational
state distributions and state resolved angle distributions of the product.
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