Ming-Bao Huang
Chinese Academy of Sciences
38 Papers
212 Citations
Ming-Bao Huang is an academic researcher from Chinese Academy of Sciences. The author has contributed to research in topics: Ion & Ground state. The author has an hindex of 11, co-authored 38 publications.
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Papers
CAS calculations of excited electronic states in the vinylidene anion
Xinjuan Hou,Ming-Bao Huang +1 more
TL;DR: In this article, the authors used the ANO-L+ basis for eight electronic states of the vinylidene anion (H 2 CC − ) and showed that the observed absorption band at 374 nm is attributed to the X 2 B 2 ǫ→ 2 2 2 Bǫ 2 transition.
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The X+HN3→HX+N3 and X+HN3→HNX+N2 reactions (X=F and Cl): a density functional study
Bo-Zhen Chen,Ming-Bao Huang +1 more
TL;DR: In this article, DFT B3LYP calculations with the 6-31+G (d,p), 6-311+G(d, p), and 6- 311++G(D,p) basis sets were carried out to explore the mechanisms of the X+HN3→HNX+N3 (1A, X=F; 2A, x=Cl) and X+NHN2 →HN X+N2 (1B, X = F; 2B, x = Cl) reactions.
O-loss photodissociation of the OCS+ ion in the low-lying electronic states studied using multiconfiguration second-order perturbation theory
TL;DR: The CASPT2 potential energy curves (PECs) for O-loss dissociation from the OCS+ ion were calculated in this article, and seven predissociation processes of the C2Σ+ state are suggested and an appearance potential value of 7.13 eV for the CS+ + O product group is predicted.
Electronic states of the C6H5CN+ ion studied using multiconfiguration wave functions
TL;DR: In this paper, the electronic states of the C6H5CN+ ion were studied within C2v symmetry using the complete active space self-consistent field (CASSCF) and multiconfiguration second-order perturbation theory in conjunction with an atomic natural orbital basis set.
The S1 states of o-, m-, and p-benzyne studied using multiconfiguration second-order perturbation theory
TL;DR: The results for the S 0, T 1, and anionic states of the three benzynes are in good agreement with experiment based on adiabatic excitation energy (T 0 ) calculations, with the T 0 values of 346, 297, and 270 eV, respectively as discussed by the authors.