bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lattice Relaxation Effects on the Multiplet Energies of Ruby Under Pressure using One-Electron Calculations
Authors: Novita Mega , Cholifah Nur , Ogasawara Kazuyoshi 
Published: May 2020

Abstract
Up to recently, it has been difficult to calculate the multiplet energies of compounds using one-electron approach. Since it only considers one electron and one nuclei, the interaction among the electrons are neglected. Previously we have successfully estimated the 2E→ 4A2 (R-line) levels of ruby at 0 pressure using one-electron approach based on one-electron calculation using the first-principles Discrete Variational-Xα (DV-Xα) method. Here we want to perform similar investigation, not only for 0 pressure but up to 110 GPa. We estimated the lattice relaxation effect due to the Cr3+ substitution and due to the applied pressure by using two different methods i.e., Shannon’s crystal radii and geometry optimizations. Two different types of model cluster consisting of 7 and 63 atoms will be used. The 2E level is estimated by the barycenter of t2g
3 configuration which consists of 4 multiplets.
Optical properties of Co3+doped in α-Al2O3with Considering Lattice Relaxation Effect
Authors: Novita Mega , Nuvitalia Duwi , Cholifah Nur , Ogasawara Kazuyoshi 
Published: May 2020

AbstractSearch of new luminescence materials to improve the current white-ight emitting diode (LED) is still ongoing. Several investigations such as the ion dependence, the host crystal dependence has been done previously. Since we want to get a complete picture of ion-host combination dependence, we investigated α-Al2O3: TM3+. In this work we estimated the optical properties of α-Al2O3doped with Co3+. We constructed model clusters consisting of 7 atoms. The lattice relaxation effects due to the Co3+substitution were calculated using Shannon’s crystal radii method and geometry optimizations in the Cambridge Serial Total Energy Package (CASTEP) method. The one-electron Discrete Variational-Xα (DV-Xα) method was used to estimate the molecular orbital energies, while the many-electron Discrete Variational Multielectron (DVME) method was used to estimate the d-d absorption spectra. Since Co3+belongs to 3d6configuration, there are two possible spin statesi.e., high-spin (HS) and low-spin (LS) states.
Study of LCAO-MO calculation by using completely numerical basis functions
Authors: Nakagawa Katsumi 
Published: May 2020

Abstract
Choice of basis functions is decisive in LCAO-MO method to calculate accurately MOs of a molecule under complicated electric/magnetic potential. For such situation, calculating basis functions analytically is generally difficult. To obtain them, the new numerical calculating method based on matrix operation and the new sample point system based on FCC lattice were proposed. Further LCAO-MO calculation using basis functions calculated by this method was applied for small molecules under inner electric potential and showed reasonable results. Finally, two challenges to apply this method for arbitrary magnetic potential are clarified.
The magnetism change by Jahn-Teller distortionin octahedral hexa-coordinate complex
Authors: Oguma Takeyoshi , Tsuneda Dan , Tsutsumi Yuki , Fujikawa Yoshiki , Nakano Momoe , Ishii Tomohiko , Sakane Genta , Ogasaware Kazuyoshi 
Published: May 2020

Abstract
Metal complexes exhibit significant physical properties such as electrical conductivity, magnetism and optical properties. They can be controlled by changing the ligand field splitting of the d-orbital of the central metal ion. We have investigated the reversible spin crossover (SCO) phenomenon by changing the ligand field splitting in six-coordinated metal complexes ML6. In this study, we focused on the change of the spin states by uniaxial Jahn-Teller distortion in the case of an octahedral hexa-coordinated metal complexes ML6, involving two types of different ligand molecules. In addition, we have used DV-Xα and DVME methods in order to calculate the electronic states. In order to reproduce the effect of the Jahn-Teller distortion in the calculation, a uniaxial anisotropic distortion has been applied into the octahedral hexa-coordinate metal complex. The purpose of this research is to study the mechanism and phenomenon of the spin state changing by discussing the calculated electronic states of the spin crossover phenomenon.
Prediction of emission energy of Cr3+ in oxides based on first-principles calculations and machine learning
Authors: Hori Tsubasa , Ogasawara Kazuyoshi 
Published: May 2020

Abstract
The first-principles calculations of the energies of the emission level (2Eg) of Cr3+ in 10 oxide crystals were performed using the first-principles configuration-interaction calculations. In order to improve the accuracy of the prediction, a machine learning model was created by using the results of the first-principles calculations and the experimental 2Eg energies as the training data. The predicted values using this model showed good correlation with the experimental values, where the correlation coefficient is 0.92. The obtained predicted model indicated that the Cr 3d component of t2g molecular orbital is the most important quantity for prediction of the 2Eg energy.
Considerarion of Superatomic Hibrid Orbital in superatom M@Al12 (M = Be, Mg, Ca, Sr)
Authors: Toba Teruyuki , Yamasaki Masaya , Ishii Tomohiko , Sakane Genta 
Published: May 2020

Abstract
We introduce a superatom, which is regarded as a modern alchemy and has been studied around the world. The superatom is a nanocluster composed of multiple atoms, for example Al13. Very interestingly, the “superatom” can mimic the chemical properties of “atom”, for example, the superatom Al13 exhibits the character of halogen atom, such as Cl. If this superatom is synthesized to an appropriate size freely, there is the possibility to be placed as an “artificial atom” in a three-dimensional periodic table, such as the conventional two-dimensional periodic table. In recent years, the exhaustion of rare metals has become a big problem, so that in the next generation of materials and devices, the superatom play as an important role, and it is expected to be used for various materials or as a substitute for expensive metal catalysts such as Pt. From these points of view, the superatom have been studied all over the world up to now, but there is not much studies on their electronic structures. Therefore, in this study, we have analyzed the electronic states of the chalcogen-encapsulated type superatom M@Al12 (M = Be, Mg, Ca, Sr) by means of DV-Xα molecular orbital calculation. Our research revealed that the electronic configuration of the superatom, which changed only the central atom, depends largely on the kind of doped atom. And we can also confirm the “superatomic hybrid orbitals (SAHOs)” composed of superatomic orbitals (SAOs), and chalcogen characteristics.
Generation of two-dimensional spectrochemical series in tetrahedral complexes
Authors: Yamamoto Takuhiro , Oguma Takeyoshi , Tsutumi Yuki , Tsuboi Shino , Ishii Tomohiko 
Published: May 2020

Abstract
The physical properties of metal complexes that exist in many places are due to the ligand field splitting and electronic configuration of the d-orbital of the central transition metal, so changing the ligand field splitting of the d-orbital allows to control the physical properties. The arrangement of metals and ligands in order of the ligand field splitting is called a spectrochemical series. There is already a spectrochemical series only in the case of octahedral hexa-coordination complexes, but no equivalent index is shown for any other symmetry such as tetrahedral tetra-coordination complexes. In this study, we have investigated the creation of spectrochemical series in tetrahedral tetra-coordinated metal complexes. As a result, it is possible to accurately grasp the ligand field splitting of a tetrahedral tetra-coordinated metal complex, and to more effectively apply energy for expressing a spin crossover phenomenon in which the magnetism reversibly changes.
Cobalt Thiolates with Organic N,N,S-Tridentate Ligand: Conversion of Thiolate Complex to Sulfinate Complex via Sulfenate
Authors: Kotera Takanori , Fujita Atsushi , Mikuriya Masahiro , Yoshioka Daisuke , Shibahara Takashi , Nishimoto Kichisuke , Handa Makoto 
Published: May 2020

Abstract
Mononuclear cobalt(III) complex with 2-[(3-aminopropyl)amino]ethanethiol (Hapaet), [Co(apaet)2]ClO4 (1) and the sulfinate complex, [Co(apaetO2)2]ClO4 (2) were synthesized and characterized by measurements of the elemental analysis, infrared and electronic spectra (UV-vis-NIR), and temperature dependence of magnetic susceptibilities (4.5—300 K), and DFT calculations. X-Ray crystal structure analysis of 1 and 2 revealed an octahedral CoS2N4 or Co(SO2)2N4 chromophore with meridional chelation of two apaet− or apaetO2
−. Conversion of 1 to the sulfinate complex 2 via the sulfenate complex was investigated by UV-vis spectra. Oxidation reaction of capsanthin with 1 was also examined.
Smart Aquaponics Design Using Internet of Things Technology
Authors: Hafid Hardyanto R. , Ciptadi Prahenusa Wahyu 
Published: May 2020

Abstract
Smart Aquaponic is a system of planting plants and maintaining fish in one container with integrated Internet of Things technology. Aquaponic is the process by which plants utilize nutrients derived from fish feces which, if left in the pond, will become toxic to the fish. Plants function as a filter of vegetation which will break down these toxic substances into substances that are not harmful to fish. Plants also supply oxygen to the water used to maintain fish. With this cycle there will be a mutually beneficial cycle between plants and fish. This system is very profitable, because the land used will not be too large. The purpose of this study was to develop a smart aquaponic system using Internet of Things technology. In this system aquaponics are equipped with sensors that function as monitors and actuators. Actuators can be controlled by users using smart phones. Sensor monitoring can be observed by users using smart phones. The method used in this study uses the Microsoft Solution Framework (MSF) with the waterfall system development method and Object Oriented Development (OOD) method. Stages in this study includes problem identification, preliminary planning and design, piloting and implementation. Conclusion: This smart aquaponics design is ready to be implemented in small scale trials.
Stability of carbon-vacancy complexes in α-Fe
Authors: Mizuno Masataka , Yamada Waka , Sugita Kazuki , Araki Hideki 
Published: May 2020

Abstract
We investigated the stability and structure of C
n

V and N
n

V complexes in α-Fe using first-principles calculations. In the case of C
n

V complexes, C2
V is most stable due to the energy gain by forming the C-C bonding. However, N2
V is less stable than N1
V. This is due to the repulsive interaction between N atoms in N
n

V complex. The overlap population analysis reveals that the C 2s - C 2s antibinding interaction is reduced by the C 2s - C 2p bonding interaction. The interaction between the N 2s and N 2p orbitals is not strong enough to cancel the N 2s - N 2s antibonding interaction because the energy difference between the N 2s and N 2p orbitals is larger than that between the C 2s and C 2p orbitals.
Alternative Solutions for Determining Village Funds Using Weight Product Method
Authors: Hastono Tri , Syah Firdiyan 
Published: May 2020

Abstract
Based on the Minister of Home Affairs Regulation No. 113 of 2014 concerning Village Financial Management, the management of village funds must be carried out in a transparent, accountable, participatory, orderly, and budgetary discipline. Village fund management starts from January 1 to December 31 of the current year as outlined in the Village Budget (APBDesa). Village budget consists of village income, village expenditure, and Village Financing. The current village fund management mechanism is felt to be too convoluted and filled with obscurity. For example, the measurement for village fund recipients is still based on the results of deliberations. The results of the deliberations that are produced make it possible to have political elements or like-dislike factors. The result will be far from equal distribution and right on target. From this description, we need a tool that is used to help provide a fair decision regarding the recipient of village funds. The tool is a tool that is not influenced by things that cause no equalization and only requires a short time in its processing. So that the recipients of village funds are quickly identified by looking at several criteria. This study provides a solution for determining the recipients of village funds using the Weight Product method. Weight Product Method is one method often used to solve the problem of decision making with many attributes or criteria (MADM). This method is more efficient than some other methods in solving the problem of decision making with many attributes or criteria (Multi Attibute Decision Making). The criteria used in this study include: Poverty rates, area size, geographical difficulties, and infrastructure.
EKA v1: Emergency Call Auto-register, an Emergency Warning System based on Internet of Things for Intensive Care Patient at Hospital
Authors: Megantoro Prisma , Winarno Hendra Ari 
Published: May 2020

Abstract
The emergency calling device for nurse is generally located in every ward of a hospital. It is an important facility for every inpatient. However, generally these devices are still in the form of conventional electrical components that uses long wiring. This is because this system must reach all inpatient rooms. In addition, the caller feature is also very limited, usually only in the form of an emergency button. The caller system is also not yet integrated with the hospital database, so it becomes an obstacle for nurses and doctors to understand the patient’s condition in an emergency. This article discusses the design of a nurse calling device that is connected wirelessly via a wifi network on the ward. There are also several types of calling features so that the nurse or doctor immediately knows the type of assistance a patient needs. In addition, the client and server system is integrated with the hospital database, which shows a detailed patient history. This device uses the NodeMCU ESP 8266 board as a client and Raspberry Pi 3 as a server. The features placed on this device work well as a design and are successfully implemented for one ward per server.
Kinetics of Oxidation Decomposition on Jatropha Curcas Biodiesel
Authors: Supriyono  , Sumardiyono  , Purwanti Enny , Retno Ambarwati S.L. 
Published: May 2020

Abstract
High free fatty acid jatropha curcas oil was use as a feedstock of biodiesel through two step esterification, first by reaction of Jatropha curcas oil with methanol catalyzed by sulfuric acid, and second step is transesterification process with methanol catalyzed by sodium hydroxide. After purification step, 120 ppm pyrogallol was introduced into Jatropha curcas biodiesel. Accelerated controlled oxidation process was performed using rancimat test equipment with the dry airflow to the reaction tube is 10 L/min. Assuming that oxygen only reacts with double bond of the compound that compose biodiesel, measurement the quantity changes of double bond on biodiesel by the changes of the value of iodine number will brought to the rate of reaction. While reaction rate constant determine by Arrhenius law was calculated from the data of time to reach induction period in a certain temperature. It was found that total rate of oxidation process was determined by chemical reaction rate rather than mass transfer rate of oxygen to the body of biodiesel, both on biodiesel with or without pyrogallol. While in a presence of 120 ppm pyrogallol on jatropha curcas biodiesel, Arrhenius constant was determined by the value of frequency factor (A) = 28.47 x 106/sec and activation energy (E) = 97,31 kJ/mol. This mean that on the ambient temperature 30 oC, Jatropha curcas biodiesel in a presence of 120 ppm pyrogallol will decrease their iodine value 3.4% after 2.3 years.
The Multi Agent System for Job Recommendation
Authors: Tentua Meilany Nonsi , Azhari Azhari , Musdholifah Aina 
Published: May 2020

AbstractThe number of available job portals causes abundant information. Therefore, a system of recommendations is needed by job seekers to find jobs that fit their profile. Offering job vacancies on job portals are changing every time because there are always additional job search data and job opening data. Multi-agents system is a technology that can be used to handle information changes. This article proposed a recommendation system is expected to help job seekers to get jobs in accordance with the field of science they have. The system will monitor what work is offered by online job portals. From the results of observations, the job content offered will be used as a reference so that if new content is entered, the agent will automatically provide input to the job seeker. Based on the results of the implementation of the recommendation system using a multi-agent system can provide search results that are in accordance with what is inputted by the user based on the profile they have. These search results can recommend jobs that match the job seeker profile.
The Effect Of Chloride Acid (Hcl) Concentration And Fermentation On Bioethanol Levels From Breadfruit (Artocarpus Artilis) Substrate
Authors: Hidayati Nasrul Rofiah 
Published: May 2020

Abstract
At present, the public demand for fuel oil (BBM) is increasing inversely proportional to its availability. One of the efforts to reduce people’s dependence on BBM is to utilize alternative vegetable-based energy such as bioethanol. Bioethanol is a fermented product that can be made from a substrate containing carbohydrates. Breadfruit (Artocarpus artilis) is one of the agricultural products that have a fairly high starch content of 89% and is not included as a staple food source in Indonesia. Utilization of breadfruit is still not optimal because breadfruit is only used as a snack or made into flour. This study aimed to make bioethanol with breadfruit raw material (Artocarpus artilis). The method of this study consisted of two stages, the first step was the hydrolysis of breadfruit flour with hydrochloric acid (HCL) catalyst. The concentrations of HCL used in this study were 1%, 1.5%, and 2%. The second stage of fermentation using Saccharomyces cerevisiae was with 72 hours fermentation time, 120 hours and 168 hours. From the results of the research, it was found that the highest levels of bioethanol to the treatment of HCL 2% concentration and fermentation duration of 168 hours was 17.6%.
Color Based Segmentation Using Fuzzy C Means For Bamboo As EnvironmentallyFriendly Material
Authors: Latifah Khoiriya , Siswanto Joko , Supriyadi Bambang , Rochim Abdul 
Published: May 2020

Abstract
Bamboo is an environmentally friendly material. Many benefits of bamboo that we can get. Indonesia as a bamboo-producing country needs easy techniques to make good classification of bamboo. Bamboo is composed of fibers and fiber adhesives. There are various kinds of bamboo in Indonesia. This study uses digital image processing with fuzzy c means based segmentation to identify bamboo. Segmentation is an important thing in image processing. By using fuzzy c means in segmentation in this study obtained good segmentation results. This study uses 4 types of bamboo, namely Javanese bamboo, Ori bamboo and Petung bamboo and Wulung bamboo. There are 40 images as training images and 12 test images. The results of segmentation show that fuzzy c means produces good segmentation with the number of iterations between 20-23 and time ranging from 0.11 to 0.15. The accuracy of this test reaches 80%.
Design of Product Monitoring System Using Internet of Things Technology for Smart Manufacturing
Authors: Sari Marti Widya , Herianto  , Dharma IGB Budi , Tontowi A.E. 
Published: May 2020

Abstract
The application system in the industrial era 4.0 is currently growing rapidly. One of them is the implementation of smart manufacturing in the industrial sector. In smart manufacturing, production processes can be monitored automatically and real time, starting from material selection, then the production process to the planned product. In this study discussed the design of a monitoring system on smart manufacturing based on internet of things technology. Smart technology is implemented on material scans automatically based on color sensors, then from the material it will also be known that with these materials produce certain products and require any material. In addition, the system will also automatically detect through the initial material to find out which processes will be passed. The methods used include literature studies, system requirements analysis, system design and system testing. The results of this study are in the form of a hardware system design and display of production process monitoring system applications. In the system that is made also a notification is displayed if a bottle neck occurs in the production process.
Designing Enterprise Architecture in Koperasi Karyawan using TOGAF Architecture Development
Authors: Nada Noora Qotrun , Wibowo Setyoningsih , Novita Mega 
Published: May 2020

Abstract
The Open Group shows that Enterprise Architecture (EA) can produce an IT blueprint that can be used to determine business, technology, and information to support the achievement of an organization’s vision and mission. EA can also be seen as a model, a set of principles and methods used to produce the actual organizational structure of a company with business processes used including business operations, business planning, information technology, and information systems. EA is also in the form of models, graphics and narratives that will explain the scope of a company’s business processes and design. Koperasi Karyawan TEKAD do not yet have information systems and operations are driven by manual system. The purpose of this study was to design an EA, specifically in Koperasi Karyawan using the TOGAF framework. In other words, this architecture was created by emphasizing the relationship between IT and business. The EA model is intended to maximize business alignment with IT in all situations, but depends on the nature of the business and the capacity in business and IT management in Koperasi Karyawan. This EA design produces a blueprint that can be used so that service quality and performance can be improved.
Decision Support System in Recommending Climbing Tourism Destinations with Profile Matching Method
Authors: Sri Rahayu Ginantra Ni Luh Wiwik , Bhawika Gita Widi , Zamsuri Ahmad , Budianto Fadjar , Achmad Daengs GS 
Published: May 2020

Abstract
Climbing is one of the extreme sports categories and recreational activities that are in great demand in the last decade, especially teenagers. Climbing offers a different sensation and challenge from other sports, besides this sport also offers a beautiful view when the climbers have reached the top of the mountain that is intended, of course, also improves fitness and health. The purpose of this study is to provide climbing tourism destination recommendations to groups of organizations and individuals who have a hobby or are the first to want to do this sport. Data collection in this study was carried out by giving questionnaires to 3 groups of nature lovers organizations, each organization was given 10 questionnaires. In this study, there are 5 alternatives used, including Mount Jaya Wijaya, Mount Ijen, Mount Kerinci, Mount Rinjani and Mount Bromo with 6 Criteria, including Beauty, Altitude, Location, Cost and Pathway. Based on calculations using the Profile Matching method, the results are obtained that Mount Rinjani is a recommended climbing tourism destination.