Zobrazeno 1 - 10
of 184
pro vyhledávání: '"Deheng Shi"'
Publikováno v:
Molecules, Vol 23, Iss 1, p 210 (2018)
This paper calculates the potential energy curves of the 14 Λ-S and 49 Ω states, which come from the first three dissociation channels of the SiN− anion. These calculations are conducted using the valence internally contracted multireference conf
Externí odkaz:
https://doaj.org/article/9e8755025966442cb1590a9bdc529cd0
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Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 217:77-85
The potential energy curves of 23 states of AlN radical are calculated to accurately determine the first several lowest-lying singlet and triplet states. The calculations are done using the CASSCF method, which is followed by the valence internally c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6b39000186fb8122ddf763f8ea2ccd1c
https://doi.org/10.1016/j.saa.2019.03.045
https://doi.org/10.1016/j.saa.2019.03.045
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer. 230:120-130
In this work, spectroscopic parameters and transition properties are studied for the X 2Π, B 2Π, B′ 2Σ+, a 4Π, and b 4Σ− states of the NS radical. It is found that the rotationless radiative lifetimes of the vibrational levels are approximat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4b65e17a51ea23b980f2cd3ce35da388
https://doi.org/10.1016/j.jqsrt.2019.04.002
https://doi.org/10.1016/j.jqsrt.2019.04.002
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer. 227:86-93
In this study, we calculated the potential energy curves of the X3Π, A3Σ−, B3Σ+, C3Π, D3Δ, and E3Π states of SiC molecules and the transition probabilities between them. The rotationless radiative lifetimes of the vibrational levels are in th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4377af43f7b30df773069e7498e504e8
https://doi.org/10.1016/j.jqsrt.2019.02.003
https://doi.org/10.1016/j.jqsrt.2019.02.003
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer. 224:261-271
In this study, the potential energy curves are calculated for the a1Σ+, b1Π, c1Δ, d1Σ+, e1Π, f1Δ, and g1Σ− states of the AlN radical. The transition dipole moments between them are computed. The rotationless radiative lifetimes of the vibrat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5d210d9bac067897760d5fe9d4f7c128
https://doi.org/10.1016/j.jqsrt.2018.11.030
https://doi.org/10.1016/j.jqsrt.2018.11.030
Publikováno v:
Heat Transfer Research. 50:633-647
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a144c134b8faa5815a598abbf2754c2b
https://doi.org/10.1615/heattransres.2018026784
https://doi.org/10.1615/heattransres.2018026784
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 204:164-173
This study calculates the potential energy curves of 12 Λ-S and 27 Ω states, which belong to the first dissociation channel of SiC+ cation. The potential energy curves are computed with the complete active space self–consistent field method, whic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5d9c6d99ff9e1b1e5f6776d5927ea166
https://doi.org/10.1016/j.saa.2018.06.041
https://doi.org/10.1016/j.saa.2018.06.041
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer. 210:62-73
This paper calculates the potential energy curves of 21 Λ–S and 42 Ω states, which arise from the first two dissociation asymptotes of the CO+ cation. The calculations are conducted using the complete active space self–consistent field method,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::35eb353bae42f144a6cb284961cab5c1
https://doi.org/10.1016/j.jqsrt.2018.02.008
https://doi.org/10.1016/j.jqsrt.2018.02.008
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer. 208:1-11
In this work, we calculate the potential energy curves of 16 Λ-S and 36 Ω states of beryllium boride (BeB) radical using the complete active space self-consistent field method, followed by the valence internally contracted multireference configurat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1a00d45e45dcc9a14f49a543e3295c76
https://doi.org/10.1016/j.jqsrt.2017.12.024
https://doi.org/10.1016/j.jqsrt.2017.12.024