scholarly journals Understanding benzyl alcohol aggregation by chiral modification: the pairing step

2020 ◽  
Vol 22 (44) ◽  
pp. 25538-25551
Author(s):  
Robert Medel ◽  
Martin A. Suhm

Depending on how two enantiomeric benzyl alcohol molecules meet, they either get stuck in a symmetric heterochiral dimer or they synchronize their transient chirality to reach the global minimum structure.

2020 ◽  
Vol 8 (1) ◽  
pp. 11-21
Author(s):  
S. M. Yaroshko ◽  
◽  
M. V. Zabolotskyy ◽  
T. M. Zabolotskyy ◽  
◽  
...  

The paper is devoted to the investigation of statistical properties of the sample estimator of the beta coefficient in the case when the weights of benchmark portfolio are constant and for the target portfolio, the global minimum variance portfolio is taken. We provide the asymptotic distribution of the sample estimator of the beta coefficient assuming that the asset returns are multivariate normally distributed. Based on the asymptotic distribution we construct the confidence interval for the beta coefficient. We use the daily returns on the assets included in the DAX index for the period from 01.01.2018 to 30.09.2019 to compare empirical and asymptotic means, variances and densities of the standardized estimator for the beta coefficient. We obtain that the bias of the sample estimator converges to zero very slowly for a large number of assets in the portfolio. We present the adjusted estimator of the beta coefficient for which convergence of the empirical variances to the asymptotic ones is not significantly slower than for a sample estimator but the bias of the adjusted estimator is significantly smaller.


2011 ◽  
Vol 31 (11) ◽  
pp. 1369-1373
Author(s):  
Cheng LIU ◽  
Rong TAN ◽  
Donghong YIN ◽  
Ningya YU ◽  
Yuxu ZHOU

Author(s):  
L. A. Smirnov ◽  
I. I. Gorbachev ◽  
V. V. Popov ◽  
A. Yu. Pasynkov ◽  
A. S. Oryshchenko ◽  
...  

The CALPHAD method has been employed to compose thermodynamic description of the Fe–Cr–Mn–Ni–Si–C–N system. Using an algorithm based on finding a global minimum of Gibbs energy, the calculations of system phase composition were performed in the temperature range from 1750°C to hardening and in the range of compositions corresponding to 04Kh20N6G11M2AFB steel. Calculations showed that at temperatures above liquidus line, Cr and Mn increase nitrogen solubility in the melt, while Ni and Si reduce it. With an increase in the content of Cr, Mn, Ni, and Si in steel in the studied composition range, both liquidus and solidus temperature decrease. The degree of influence on these temperatures of Cr, Mn, Ni and Si within the steel grade is different and ranges from ~3 to ~14°C. Calculations taking into account the possibility of nitrogen transfer between steel and the atmosphere of air showed that the amount of fixed nitrogen in the alloy under study varies, depending on the composition of the steel and temperature, from ~0.3 to ~0.6 wt%. As the temperature decreases from liquidus to solidus, the amount of fixed nitrogen increases, with the exception of those steel compositions when ferrite and not austenite is released from the liquid phase.


2021 ◽  
Vol 231 ◽  
pp. 111477
Author(s):  
Jin-Tao Chen ◽  
Zhi-Hao Jin ◽  
Wang Li ◽  
Kai-Ru Jin ◽  
Shu-Bao Song ◽  
...  

RSC Advances ◽  
2021 ◽  
Vol 11 (21) ◽  
pp. 12682-12686
Author(s):  
Yuanjin Li ◽  
Shuhui Wang ◽  
Jin Wu ◽  
Qiuyan Wang ◽  
Changqiu Ma ◽  
...  

Porous phosphorus-doped g-C3N4 (PCNT) has intensive oxygen activation ability to generate superoxide radicals, and can efficiently catalyze synthesis of benzoin from benzyl alcohol, with conversion rate and selectivity near to 100%.


2021 ◽  
Author(s):  
Kadriye Özlem Hamaloğlu ◽  
Rukiye Babacan Tosun ◽  
Serap Ulu ◽  
Hakan Kayi ◽  
Cengiz Kavaklı ◽  
...  

A synergistic catalyst in the form of monodisperse-porous CeO2 microspheres supported Pd nanoparticles (Pd NPs) was synthesized. CeO2 microspheres 4 μm in size were obtained by a newly developed “sol-gel...


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