Time-dependent behavior of nitric oxide excited states under the effect of electron impact

2021 ◽  
Vol 28 (2) ◽  
pp. 024503
Author(s):  
Mohammed amin Ferdi ◽  
Abdelaaziz Bouziane ◽  
Mourad Djebli
RSC Advances ◽  
2021 ◽  
Author(s):  
Guanzhao Wen ◽  
Xianshao Zou ◽  
Rong Hu ◽  
Jun Peng ◽  
Zhifeng Chen ◽  
...  

Ground- and excited-states properties of N2200 have been studied by steady-state and time-resolved spectroscopies as well as time-dependent density functional theory calculations.


2002 ◽  
Vol 06 (10) ◽  
pp. 617-625 ◽  
Author(s):  
Yoichi Yamaguchi

Using time-dependent density functional theory (TDDFT), the excited states of the analogue model Mg -bacteriochlorophyll b - imidazole ( BChl -Im) dimer (P) for a special pair in the photosynthetic reaction center (RC) of Rhodopseudomonas (Rps.) viridis were examined. The calculated low-lying excited states and optimal geometries are in good agreement with experimental data. The order of the lowest unoccupied molecular orbital (LUMO) energies of P, the monomeric "accessory" BChl -Im (B), and bacteriopheophytin b ( H ) indicates the possibility of the light-induced electron transfer from P to H via B. The Im ligand of B destabilizes Goutermann's four-orbitals of BChl by 0.3-0.4 eV. With no energetic difference in the LUMOs between H and BChl , the Im ligands of P and B play an important role in providing a greater energetic gradient to the LUMOs along with the pathway for the excited-electron transfer in RC, resulting in the reduced reverse electron transfer from H to P (via B). Thus it is expected that the asymmetric Mg -Im interactions will directly affect the pathway of the excited-electron transfer. Using the deformed heterodimer (P') formed by the BChl halves with and without Im as the primary donor model, its cation radical P'+ was calculated as to whether the experimental asymmetric spin-density distribution can reproduce. The excited states of the analogue model Zn - BChl -Im dimer for a special pair in RC of the recently discovered Acidiphilium rubrum were also examined for a comparison with P.


2007 ◽  
Vol 178 (4) ◽  
pp. 1543-1548 ◽  
Author(s):  
Serap Gur ◽  
Philip J. Kadowitz ◽  
Landon Trost ◽  
Wayne J.G. Hellstrom

2021 ◽  
Vol 137 ◽  
pp. 104300
Author(s):  
Yi Chong Cheng ◽  
Ri Hong Zhang ◽  
Kui Hua Wang ◽  
Zhi Yong Ai

2017 ◽  
Vol 23 (5) ◽  
pp. 415-425 ◽  
Author(s):  
M Dianat ◽  
M Taghizadeh ◽  
F Shahidi ◽  
SMA Razavi

In this study, the effect of barley malt extract at two brix levels (74 and 79 °Bx) and three ratios of malt extract/honey (65:35, 70:30 and 75:25) on the flow behavior properties of honey–malt spread at three temperature levels (35 ℃, 45 ℃ and 55 ℃) was investigated. Time-dependent behavior data of the spread samples were appropriately fitted to the Weltman, first-order stress decay with a zero stress value and first-order stress decay with a non-zero stress value models. Also, the Power-law, Herschel–Bulkley, Casson and Bingham models were used for curve fitting the time-independent behavior data. Regarding the R2 and root mean square error coefficients, the first-order stress decay with a non-zero stress value and Herschel–Bulkley models were selected as the suitable models to describe the flow behavior of samples. The results for time-dependent properties showed that spread samples exhibit a thixotropic behaviour, as the viscosity for all samples decreased with increase in shearing time at a constant shear rate of 50 s−1.


2005 ◽  
Vol 492-493 ◽  
pp. 379-384 ◽  
Author(s):  
Klod Kokini ◽  
Sudarshan V. Rangaraj

The thermal fracture and its dependence on time-dependent behavior in functionally graded yttria stabilized zirconia - NiCoCrAlY bond coat alloy thermal barrier coatings was studied. The response of three coating architectures of similar thermal resistance to laser thermal shock tests was considered, experimentally and computationally.


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