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2021 ◽  
Author(s):  
Kaisheng Song ◽  
Jun Li

Ion-neutral molecular reactions play key roles in the field of ion related chemistry. As a prototypical multi-channel ion-molecular reaction, the reaction H2 + NH2- → NH3 + H- has been studied for decades. In this work, we develop a globally accurate potential energy surface (PES) for the title system H2 + NH2- based on nearly hundreds of thousands points over a wide dynamically relevant region. The permutational invariants polynomials neural network (PIP-NN) method is used for fitting and the total root mean squared error (RMSE) is extremely small, only 0.026 kcal mol-1. Extensive dynamical and rate coefficient calculations are carried out on this new PIP-NN PES by the quasi-classical trajectory (QCT) method. The calculated rate coefficients for H2 / D2 + NH2- agree well with the experimental results that show a inverse temperature dependence from 50 to 300 K, consistent with the capture nature of this barrierless reaction. A significant kinetic isotope effect has been well reproduced by the QCT computations. In addition, we report a unique phenomenon of significant reactivity suppression by exciting the rotational mode of H2, particular at low collision energies. Further analysis shows that the excitation of rotational mode of H2 would prevent the formation of the reactant complex and thus suppress reactivity.


Land ◽  
2021 ◽  
Vol 10 (5) ◽  
pp. 440
Author(s):  
Steven Mekking ◽  
Dossa Victorien Kougblenou ◽  
Fabrice Gilles Kossou

The government of Benin in 2013 decided upon a centralized land administration, with the purpose of recording the entire national territory in one land administration system to promote durable economic development by increasing legal certainty in real estate transactions. This is a major challenge, given that currently, of the estimated 5 million cadastral parcels, less than 60,000 parcels have a land title and are registered in the national land administration agency’s central database. This case study describes how a transition to a fit-for-purpose approach in land administration makes it possible to realize the Benin government policy. In the context of Benin, the core of this approach is the introduction of a tenure system based on presumed ownership parallel to the existing title system with state-guaranteed ownership. From a quality perspective, this meant a shift in priorities from “good but slow” to “good enough and fast”. A field test has proven that this new approach is necessary to realize the governmental purpose but puts pressure on the quality aspect and the related interests of established parties such as private surveyors. In the Benin case, this pressure is reduced by designing a land information system based on the Land Administration Domain Model (LADM) that makes it possible to include and keep track of both cadastral parcels with state-guaranteed ownership and cadastral parcels with presumed ownership in the database. Both ways of tenure security can therefore coexist, allowing landowners to choose between the level of legal security that best fits their needs and means.


2021 ◽  
Vol 22 (1) ◽  
pp. 39-44
Author(s):  
E.N. Orujlu ◽  
Z.S. Aliev ◽  
I.R. Amiraslanov ◽  
M.B. Babanly

By using Differential Thermal Analysis (DTA) and Powder X-ray Diffraction (PXRD) techniques, the phase diagram of the MnTe-Sb2Te3 system has been constructed for the first time in the entire composition range. The system features two ternary layered van der Waals (vdW) compounds. Apart from known MnSb2Te4, novel MnSb4Te7 which a structural analogous of the known MnBi4Te7 was found in the system. Crystal structure parameters of both compounds were determined by Rietveld refinement using the fundamental parameter approach. Both compounds were found to decompose via peritectic reactions and possess significant homogeneity ranges. The title system is also characterized by the existence of the wide solid solution field based on the starting Sb2Te3. The present results would be useful for the bulk single crystal growth of both compounds from the liquid phase via the determination of primary crystallization areas.


Teachers Work ◽  
2019 ◽  
Vol 16 (1 & 2) ◽  
pp. 3-6
Author(s):  
Ying Zhang ◽  
Kwok Kuen Tsang

The teacher title system is a strategy used by China government to cultivate teacher professionalization. Although teacher empowerment is an essential component of teacher professionalization, few studies have investigated the impact of the teacher title system on teacher empowerment in order to evaluate the effectiveness of the teacher title system. Thus, the study examined the relationship between the teacher title system and teacher empowerment by surveying 262 primary and secondary schoolteachers in a city in Liaoning Province. The findings suggest that the teacher title system might insufficiently empower teachers in China. Implications for teacher professionalization in China are discussed and suggestions for further studies are also addressed.


Author(s):  
Nguyen Duy Doai

The Ca Ong (whale) belief is one of the folk beliefs in Vietnam. The Ca Ong belief followed by the inhabitants of the Ly Son island district not only reflects their spiritual needs, but also educates people in the value of gratefulness. Thus, at the temple, the practitioners of the Ca Ong belief often hang many horizontal lacquered boards (hoành phi) with parallel sentences in the main hall, with the purpose of explicating the aforementioned values. This belief also reflects the aspirations of the island inhabitants, who wish to have their lives blessed with happiness by the god. Particularly, this paper explores the divergence of the Ca Ong belief that can be found in this island. Namely, this belief is not only worshipped at the temple by the community, but also privately within the Dang family, where they worship Ca Ong as a god. This is something never happening in other regions such as the South Central coast or the South of Vietnam. Furthermore, this paper focuses on the change of the title system within this belief. Whereas titles were previously bestowed by the Nguyen dynasty, family titles in the Ly Son Island are bestowed by the Shaman.


2016 ◽  
Vol 51 (1) ◽  
pp. 47-54
Author(s):  
RK Biswas ◽  
AK Karmakar

The title system has been investigated from the modeling points of view. Equilibration time is 20 min and the significant extraction occurs above pH 2. Considering the constancy of the organic to aqueous phase ratio (1:1), the factors affecting the extent of extraction (value of log D or log CD) are [V(IV)], pH(eq), [Cyanex 302], [SO42-] and temperature (T). The levels of these factors chosen in experimentation are high (+) and low (-). Regression or model equation for the extraction of vanadium (IV) by Cyanex 302 is determined from 25 full factorial design. On abbreviating log[V(IV)], -log(1+4641.14x10-pH + (1.5x106)x10-2pH), log[Cyanex 302], -log(1+2.24 [SO42-]) and absolute temperatures as M, P, E, S and T, respectively, the model obtained is: log CD = 10.452-0.16M+1.0047P+2.0011E+1.0003S-2425.3729/T. From the regression model it is seen that there is no interaction effect between the factors under investigation. The model can describe the system well.Bangladesh J. Sci. Ind. Res. 51(1), 47-54, 2016


2014 ◽  
Vol 13 (05) ◽  
pp. 1450037 ◽  
Author(s):  
Hexiu Liu ◽  
Ruilin Man ◽  
Zhaoxu Wang ◽  
Jianping Liao ◽  
Xiaofang Li ◽  
...  

The structure characteristics, interaction energies, cooperative energies of the complexes between chalcogen hydrides ( H 2 Y ) and halogen hydrides (HX) have been studied theoretically at the MP2 level with aug-cc-pVTZ basis set in this paper. The conclusions show that there are strong interactions between H 2 Y and HX. The stability of the complex is decided by the electronegativity of the negatively charged atom. The cooperativity is observed in the two or three hydrogen bonds of each trimer structures in title system. The values of the cooperative energies and the cooperative contributions all illustrate that the cooperativity is of great importance in these complexes. The "atoms in molecules" (AIM) analyses show that the complexes in title system are mainly electrostatic interactions (closed-shell interactions) in character. For H ⋯ O bonds in H 2 O ⋯ HF ⋯ H 2 O , H 2 O ⋯ HBr ⋯ H 2 O and HF ⋯ H 2 O ⋯ HF , the 1 < |Vc|/Gc < 2 and -Gc < Hc < 0 indicate the interactions in these compounds are between closed-shell interaction and opened-shell interaction.


RSC Advances ◽  
2014 ◽  
Vol 4 (39) ◽  
pp. 20077-20085 ◽  
Author(s):  
Samir Mandal ◽  
Nabanita Chatterjee ◽  
Subhadip Das ◽  
Krishna Das Saha ◽  
Keya Chaudhuri

The title system, composed of a highly magnetic core surrounded by a thin arsenite shell, has been synthesized and applied to the magnetically facilitated targeting of anticancer agent (sodium arsenite) at lower dose with minimal side effects and higher efficacy in a biocompatible manner.


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