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Items: 1 to 20 of 34

1.

Radiative lifetimes of vibrational levels and transition probabilities of spontaneous emissions of the six lowest-lying triplet states of AlN radical.

Xing W, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2019 Jun 15;217:77-85. doi: 10.1016/j.saa.2019.03.045. Epub 2019 Mar 19.

PMID:
30927574
2.

Spectroscopic properties and transition probabilities of SiC+ cation.

Zhou D, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2018 Nov 5;204:164-173. doi: 10.1016/j.saa.2018.06.041. Epub 2018 Jun 15.

PMID:
29933151
3.

icMRCI+Q Study of the Spectroscopic Properties of the 14 Λ-S and 49 Ω States of the SiN- Anion in the Gas Phase.

Xing W, Sun J, Shi D, Zhu Z.

Molecules. 2018 Jan 20;23(1). pii: E210. doi: 10.3390/molecules23010210.

4.

Spectroscopic parameters, vibrational levels, transition dipole moments and transition probabilities of the 9 low-lying states of the NCl+ cation.

Yin Y, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2018 Mar 15;193:203-211. doi: 10.1016/j.saa.2017.12.035. Epub 2017 Dec 9.

PMID:
29245112
5.

Potential Energy Curves, Transition Dipole Moments, and Franck-Condon Factors of the 12 Low-Lying States of BrO- Anion.

Yin Y, Shi D, Sun J, Zhu Z.

J Phys Chem A. 2017 Nov 2;121(43):8207-8216. doi: 10.1021/acs.jpca.7b07207. Epub 2017 Oct 18.

PMID:
28994291
6.

MRCI study of the spectroscopic parameters and transition properties of the 36 low-lying electronic states of the B2 molecule.

Xing W, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2017 Oct 5;185:349-364. doi: 10.1016/j.saa.2017.05.074. Epub 2017 Jun 1.

PMID:
28601039
7.

Multireference configuration interaction study of the 27 low-lying states of the PF+ cation.

Liu H, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2017 Jun 15;181:226-238. doi: 10.1016/j.saa.2017.03.050. Epub 2017 Mar 21.

PMID:
28365453
8.

Accurate spectroscopic calculations of the 22 Λ-S states and 60Ω states of the PS+ cation.

Liu H, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2017 May 5;178:55-65. doi: 10.1016/j.saa.2017.01.045. Epub 2017 Jan 28.

PMID:
28161659
9.

Accurate spectroscopic calculations of the 21 Λ-S states and 42 Ω states of the SiB radical.

Xing W, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2017 Feb 15;173:939-949. doi: 10.1016/j.saa.2016.10.053. Epub 2016 Nov 1.

PMID:
27865167
10.

Accurate spectroscopic calculations of the 14Λ-S and 30Ω states of BF+ cation including the spin-orbit coupling effect.

Zhu W, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2017 Jan 15;171:478-486. doi: 10.1016/j.saa.2016.08.020. Epub 2016 Aug 16.

PMID:
27588956
11.

Accurate multireference configuration interaction calculations of the 24 Λ-S states and 60 Ω states of the BO(+) cation.

Liu H, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2016 Nov 5;168:148-158. doi: 10.1016/j.saa.2016.05.047. Epub 2016 Jun 1.

PMID:
27289351
12.

Accurate spectroscopic calculations of 21 electronic states of ClO radical including transition properties.

Wang X, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2016 Aug 5;165:90-8. doi: 10.1016/j.saa.2016.04.007. Epub 2016 Apr 9.

PMID:
27111157
13.

Calculations of 21 Λ-S and 42 Ω states of BC molecule: Potential energy curves, spectroscopic parameters and spin-orbit coupling effect.

Xing W, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2016 Jan 15;153:722-34. doi: 10.1016/j.saa.2015.10.006. Epub 2015 Oct 9.

PMID:
26476070
14.

Accurate predictions of spectroscopic and molecular properties of 27 Λ-S and 73 Ω states of AsS radical.

Shi D, Song Z, Niu X, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2016 Jan 15;153:30-44. doi: 10.1016/j.saa.2015.07.103. Epub 2015 Aug 7.

PMID:
26282321
15.

Accurate spectroscopic properties of 19 low-lying states of PCl radical including the electronic transition properties.

Wang X, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 5;136 Pt C:1316-27. doi: 10.1016/j.saa.2014.10.019. Epub 2014 Oct 16.

PMID:
25456674
16.

Accurate spectroscopic calculations of the 17 Λ-S and 59 Ω states of the AsP molecule including the spin-orbit coupling effect.

Shi D, Liu Q, Wang S, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Jan 25;135:736-46. doi: 10.1016/j.saa.2014.07.065. Epub 2014 Aug 1.

PMID:
25145917
17.

Accurate calculations of spectroscopic properties for the 13 Λ-S states and the 23 Ω states of BO radical including the spin-orbit coupling effect.

Zhu Z, Yu W, Wang S, Sun J, Shi D.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Oct 15;131:42-54. doi: 10.1016/j.saa.2014.04.023. Epub 2014 Apr 18.

PMID:
24820321
18.

Accurate calculations on the 22 electronic states and 54 spin-orbit states of the O2 molecule: potential energy curves, spectroscopic parameters and spin-orbit coupling.

Liu H, Shi D, Sun J, Zhu Z, Shulin Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Apr 24;124:216-29. doi: 10.1016/j.saa.2014.01.003. Epub 2014 Jan 10.

PMID:
24486866
19.

Accurate calculations on 12 Λ-S and 28 Ω states of BN+ cation: potential energy curves, spectroscopic parameters and spin-orbit coupling.

Shi D, Liu Q, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Mar 25;122:571-81. doi: 10.1016/j.saa.2013.11.098. Epub 2013 Nov 26.

PMID:
24334021
20.

Extensive calculations on 12 Λ-S and 27 Ω states of PCl+ cation including spin-orbit coupling.

Niu X, Shi D, Sun J, Zhu Z.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jan 24;118:1075-85. doi: 10.1016/j.saa.2013.09.145. Epub 2013 Oct 8.

PMID:
24161871

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