Zobrazeno 1 - 10
of 42
pro vyhledávání: '"Ming-Jie Wan"'
Publikováno v:
The Journal of Physical Chemistry A. 126:4577-4584
For the first time, the spectroscopy and transition properties of SeCl
Publikováno v:
RSC advances. 12(52)
In this paper, the potential energy curves of 22 Λ-S states as well as 51 Ω states were calculated using the internally contracted multiconfiguration interaction and Davidson correction method. Through the obtained transition data, the spectroscopy
Publikováno v:
International Journal of Hydrogen Energy. 46:12693-12700
The most stable structures of Ge6M (M = Ge, Al) clusters and reactions of Ge6M clusters with a single water molecule are investigated theoretically by density functional theory (DFT) calculation and reaction pathway search method at the same level. T
Publikováno v:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 279
For the first time, the spectroscopy data of TeCl
Autor:
Weibin Zhang, Chuan-Zhao Zhang, Shan-Jun Chen, Ning Wang, Yuan-Yuan Jin, Ming-Jie Wan, Song Li
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 208:124-130
The Λ-S electronic states with respect to the lowest four dissociation limits of BeSb are investigated theoretically on the icMRCI + Q level employing basis set of quintuple-ζ quality. The geometrical parameters, potential energy curves, vibrationa
Publikováno v:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 227
The probabilities of laser cooling of TeH
Publikováno v:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 224
The twelve Λ-S electronic states of the first four dissociation limits of the MgSb molecule have been examined at the icMRCI+Q level employing basis sets of quintuple-ζ quality. The potential energy curves, vibrational levels and spectroscopic cons
Publikováno v:
Phys. Chem. Chem. Phys.. 19:27360-27367
The schemes for laser cooling of the OH- anion are proposed using an ab initio method. Scalar relativistic corrections are considered using the Douglas-Kroll Hamilton. Spin-orbit coupling (SOC) effects are taken into account at the MRCI+Q level. SOC
Autor:
Nian Lu, Shan-Jun Chen, Yuanyuan Jin, Ning Wang, Ming-Jie Wan, Weibin Zhang, Chuanzhao Zhang, Song Li
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 227:117667
High-level ab initio computations have been performed on SnH+. The potential energy curves and spectroscopic constants of the low-lying Λ-S electronic states, as well as their associated Ω states, are derived at the icMRCI + Q level employing basis
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 227:117684
The probabilities of laser cooling of TeH- anion via a spin-forbidden transition and a three-electronic-level transition are proposed. The potential energy curves of the X1Σ+, a3∏, A1∏, and b3Σ+ electronic states of tellurium monohydride anion