Accurate potential surfaces for the ground state of H+C-2 reaction

作者：Wang, De-Quan^*; Fu, Li-Wei; Qu, Ze-Xing; Chen, Ya-Kun; Huang, Xu-Ri

来源：European Physical Journal D, 2017, 71(10): 252.

DOI：10.1140/epjd/e2017-80414-1

• C2H
• C-2
• PHOTODISSOCIATION
• ENERGIES
• BAND

Three-dimensional potential energy surfaces (PESs) have been computed, and numerically fitted, for the ground states of C2H system, which are of importance for the smallest carbon cluster, dicarbon (C-2) and dynamical study of the H-CC dissociation reaction. An accurate and over larger region of configuration space PES are produced. The potential shown that the linear dissociation path is the favorite for H-CC.

• 出版日期2017-10-12
• 单位吉林大学