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1.
J Phys Chem A ; 126(49): 9218-9226, 2022 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-36459565

RESUMO

In this paper, potential energy curves of Λ-S and Ω states of SBr+ are reported for the first time, and the spectrum data of some low excited bound states are obtained. The differences in the spectrum properties of main-group molecules and SBr+ were compared and analyzed, providing a sufficient theoretical basis for the subsequent study of main-group molecules. The avoided crossing that occurs in the Ω state is analyzed, and finally it is concluded that this phenomenon mainly occurs in the energy region between 20,000 and 40,000 cm-1 that is relative to the minimum energy value. Potential transitions in the Ω state capable of achieving laser cooling of SBr+ are explored. The Franck-Condon factor, radiation lifetime, and Einstein coefficient between X3Σ0+- and b1Σ0++ are calculated. From the calculation results, we concluded that direct laser cooling of SBr+ is not feasible. What we have studied in this paper provides a theoretical basis for subsequent computational exploration of the spectrum properties of SBr+.

2.
RSC Adv ; 12(52): 33928-33935, 2022 Nov 22.
Artigo em Inglês | MEDLINE | ID: mdl-36505708

RESUMO

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 data of the low excitation bound state are fitted and compared with the same main group ions. The phenomenon of avoided crossing that occurs in the Ω state is analyzed, and finally it is concluded that this phenomenon mainly occurs in the energy region between 20 000 cm-1 and 40 000 cm-1. The potential laser cooling transition cycle in the Ω state is analyzed. The Franck-Condon factor, radiative lifetime and Einstein coefficient between are calculated. In this paper, we argue that direct laser cooling of SeBr+ is not feasible. The content of our study provides a theoretical basis for subsequent calculations to explore the properties of SeBr+ spectrum.

3.
J Phys Chem A ; 126(28): 4577-4584, 2022 Jul 21.
Artigo em Inglês | MEDLINE | ID: mdl-35802769

RESUMO

For the first time, the spectroscopy and transition properties of SeCl+ are systematically reported. The potential energy curves of 22 Λ - S states and the corresponding 51 Ω states in the first and second dissociation channels of SeCl+ are calculated using the internally contracted multiconfiguration interaction and Davidson correction method. The phenomenon of avoided crossing in Ω states below 30,000 cm-1 is discussed in detail. The spectroscopy constants are obtained by fitting the potential energy curves, and also the Franck-Condon factors and radiation lifetimes of the X3Σ0+- ↔ 21Σ0++ transition are calculated. Between X3Σ0+- and 21Σ0++, the Franck-Condon factors are large, close to 1, but the radiation lifetime is large too. According to the calculation results, it is determined that direct laser cooling of SeCl+ is considered infeasible.

4.
Spectrochim Acta A Mol Biomol Spectrosc ; 279: 121439, 2022 Oct 15.
Artigo em Inglês | MEDLINE | ID: mdl-35660150

RESUMO

For the first time, the spectroscopy data of TeCl+ ion and the transition data between low excited states are systematically calculated. The potential energy curves of 22 Λ-S states and 51 Ω states are calculated by the internally contracted multiconfiguration interaction and Davidson correction method. By solving the one-dimensional radial Schrödinger equation, the spectroscopy data of Λ-S states and Ω states are obtained. The phenomenon of avoided crossing in Ω state is analyzed in detail, which is mainly concentrated in the region of 20000 cm-1 to 35000 cm-1. The Franck-Condon factors, Einstein coefficients and spontaneous radiative lifetimes of [Formula: see text] transitions are calculated. According to the calculation results, it is preliminarily judged that the direct laser cooling of TeCl+ ion is not feasible.

5.
Arch Anim Breed ; 65(4): 417-426, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-36756164

RESUMO

In order to promote the rapid development of the meat sheep industry, a three-way crossbred combination experiment was carried out with Australian White, Dorper, and Charollais sheep as terminal male parents and the elite F1 hybrids of Australian White  × â€¯Small-tailed Han (Han), Dorper  × â€¯Han, and Charollais  × â€¯Han as female parents, which was based on the screening of a two-way crossbred combination in meat sheep. The growth performance of six groups of three-way crossbred combinations and Han lambs was measured and analyzed, and the effect of a polymorphism in the CLPG gene on the growth performance of three-way crossbred lambs was also studied. The results showed that under the same rearing conditions, weight at 3 and 6 months of age and average daily gain from birth to 3 months and from 3 to 6 months of age were all the largest for Australian  × â€¯(Charollais  × â€¯Han) crossbred lambs. They were significantly or extremely significant different from the other three-way crossbred combinations and Han lambs ( P < 0.05 , P < 0.01 ). The body height, body length, chest girth, and cannon bone circumference at 3 months of age and body length, chest girth, and cannon bone circumference at 6 months of age were also the largest for Australian  × â€¯(Charollais  × â€¯Han) crossbred lambs. Among them, body length, chest girth, and cannon bone circumference at 3 months of age were significantly different from the other three-way crossbred combinations and Han lambs ( P < 0.05 ), and body length, chest girth, and cannon bone circumference at 6 months of age were significantly or extremely significant different from the other three-way crossbred combinations and Han lambs ( P < 0.05 , P < 0.01 ). The potential genetic effects of the CLPG gene on the growth performance indicators of three-way crossbred lambs showed that a mutation site ( g .232 C   >   T ) of this gene had two genotypes: CC and CT. Among them, the data of body weights and body sizes from CT genotype individuals at birth, 3 months old, and 6 months old were significantly higher than those of CC genotype individuals, and some indicators showed significant or extremely significant differences ( P < 0.05 , P < 0.01 ), suggesting that higher growth performance was observed in individuals with T alleles. To sum up, the crossbred combination of Australian  × â€¯(Charollais  × â€¯Han) could be suggested as the optimal choice. The T allele of the CLPG gene showed potential advantages in the performance of meat production in meat sheep. Based on the current results, we recommend that the offspring of Australian  × â€¯(Charollais  × â€¯Han) with the T allele should be preferentially utilized for meat sheep production.

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