A Theoretical and Experimental Study on Esterification of Citric Acid with the Primary Alcohols and the Hydroxyl Groups of Cellulose Chain (n = 1-2) in Parched Condition by Dang T. Nguyen, Quan T. Pham

“…Esterification of citric acid (CA) with the primary alcohols and the hydroxyl groups of cellulose chain (n = 1-2) in parched condition were investigated by using density functional theory (DFT) method and a two-layer ONIOM approach. Geometry and energy of reactants, products, and transition state (TS) structures were optimized at B3LYP/6-311g (d, p) level and ONIOM (B3LYP/6-311g (d, p):PM3MM) level. …”
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Seismic Methods in Geothermal Water Resource Exploration: Case Study from Łódź Trough, Central Part of Poland by Tomasz Maćkowski, Anna Sowiżdżał, Anna Wachowicz-Pyzik

“…An important advantage of the seismic survey is that they may support the selection of an optimal location of geothermal investment and determination of the geometry of geothermal aquifer. Furthermore, the application of geophysical methods can significantly contribute to the reduction of estimation error of groundwater reservoir temperature.…”
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A Study on the Effect of Ladle Structures and Stirrer Positions on the Internal Flow Field in the Hot Metal Desulfurization Process by Lifei Wang, Qingchun Yu, Shubiao Yin, Guozhi Wang, Songlai Zhang

“…The geometry of the ladle bottom and the position of stirring paddles during hot metal stirring significantly influence hydrodynamic characteristics, thereby affecting desulfurization efficiency. …”
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Structural Design of Mechanical Property for Biodegradable Polymeric Stent by Yunbo Wei, Minjie Wang, Danyang Zhao, Hongxia Li, Yifei Jin

“…In addition, the effects of the stent geometries on these mechanical properties have also been discussed in detail. …”
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In Vitro Evaluation of Bacterial Leakage at Implant-Abutment Connection: An 11-Degree Morse Taper Compared to a Butt Joint Connection by Hooman Khorshidi, Saeed Raoofi, Afagh Moattari, Atoosa Bagheri, Mohammad Hassan Kalantari

“…Background and Aim. The geometry of implant-abutment interface (IAI) affects the risk of bacterial leakage and invasion into the internal parts of the implant. …”
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On expansions for nonlinear systems Error estimates and convergence issues by Beauchard, Karine, Le Borgne, Jérémy, Marbach, Frédéric

“…In particular, intrinsic formulas allowing to decouple time-dependent features from geometry-dependent features of the solution have been extensively studied.First, we give a didactic review of classical expansions for formal linear differential equations, including the celebrated Magnus expansion (associated with coordinates of the first kind) and Sussmann’s infinite product expansion (associated with coordinates of the second kind). …”
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Analysis of a D-Shaped Photonic Crystal Fiber Sensor with Multiple Conducting Layers by Amanda F. Romeiro, Markos P. Cardoso, Caua C. Miranda, Anderson O. Silva, João C. W. A. Costa, M. Thereza R. Giraldi, Jose L. Santos, Jose M. Baptista, Ariel Guerreiro

“…Our investigation encompassed a comprehensive theoretical modeling and analysis, aiming to unravel the intricate relationship between material composition, sensor geometry, and spectral response. By scrutinizing the sensing properties offered by each material, we laid the groundwork for designing multiplasmonic resonance sensors. …”
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A New Approach for Studying Bond Rupture/Closure of a Spiro Benzopyran Photochromic Material: Reactivity Descriptors Derived from Frontier Orbitals and DFT Computed Electrostatic P... by M. S. A. Abdel-Mottaleb, Sarah N. Ali

“…For this compound, DFT optimized geometry could be used to predict photochromism. Furthermore, in an attempt to predict the driving force for MC → SP, this work explores, for the first time, profitable exploitation of the calculated and visualized mapped electrostatic potential energy surfaces (ESP map). …”
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Micro- and Nanoscale Pore Structure Characterization of Carbonates from the Xiaoerbulake Formation in the Tarim Basin, Northwest China by Jingyi Wang, Qinhong Hu, Mengdi Sun, Zhongxian Cai, Cong Zhang, Tao Zhang

“…The evaluation of pore structure is an essential part in the assessment of carbonate reservoirs. The structures (geometry and connectivity) of nm to μm-scale pore networks in outcrop samples of carbonates from Xiaoerbulake Formation in Tarim Basin of China were studied by using optical microscopy, field emission-scanning electron microscopy (FE-SEM), as well as mercury intrusion porosimetry (MIP) with fractal analyses of the data, and spontaneous imbibition tests (distilled water). …”
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Numerical simulation of MHD Sakiadis flows of convectively heated thixotropic nanofluids in a porous medium using revised transport laws and Wakif-Buongiorno's model by A. Wakif

“…Due to the particular inability of Fourier's and Fick's laws in the realistic quantification of transfer processes that can occur certainly within a flowing biphasic mixture, on the one hand, and the explanation of the memory relaxation features of such a non-homogenous medium, on the other hand, the present scrutinization intends to propose a representative biphasic flow model to reveal the principal demeanors of convectively heated thixotropic nanofluids during their steady two-dimensional flows in the laminar regime over a stretching planar geometry in a Darcy-Forchheimer porous medium under the magnetic impact of an external electromagnetic device. …”
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Fractal Study on the Failure Evolution of Concrete Material with Single Flaw Based on DIP Technique by Lulin Zheng, Hao Liu, Yujun Zuo, Quanping Zhang, Wei Lin, Qing Qiu, Xiaorong Liu, Ziqi Liu

“…In order to study the failure characteristics of shotcrete body during the process of using shotcrete bolt mesh support in the deep fractured rock mass of Lannigou Gold Mine, this paper combined the Digital Image Processing Technique (DIP) and RFPA2D (Rock Failure Process Analysis System) to establish a real meso-structure numerical model of concrete with different inclination angle cracks, simulating its crack propagation law and failure process, and studied the influence of crack geometry distribution and meso-heterogeneity on the effect of concrete structure. …”
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How is Logical Analysis Viable? by Arman Besler

“…This distincive conception has been specified under a few various rubrics, such as paraphrastic or transformative-interpretive analysis, to separate it not only from the decompositional but the regressive conception as well, the latter characterizing the analysis-synthesis method of ancient Greek geometry. The present paper first locates logical analysis (as a philosophical method) in this picture, by proposing to define it as a definite kind of paraphrastic (or transformative/interpretive) analysis, the kind where the language in the analysans position is a logical language. …”
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Investigation of Complex Characteristics of Waterjet Propulsion Device with Intake Grid by Can Luo, Shuaihao Lei, Chuan Wang, Li Cheng, Chenzhi Xia, Di Zhang, Qiang Guo

“…Therefore, this study discussed the complex features of the circular, rectangular, and streamlined intake grid. Consistent geometry size of the intake grid mentioned above is to be maintained to guarantee the identical flow capacity at the entrance of inlet duct. …”
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Semiempirical Efficiency Calibration in Semiconductor HPGe Gamma-Ray Spectroscopy by Jelena Krneta Nikolić, Milica Rajačić, Dragana Todorović, Marija Janković, Nataša Sarap, Gordana Pantelić, Ivana Vukanac

“…One of the main problems in quantitative gamma-ray spectroscopy is the determination of detection efficiency, for different energies, source-detector geometries, and composition of samples or sources. There are, in principle, three approaches to this issue: experimental, numerical, and semiempirical. …”
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Optical wave features and sensitivity analysis of a coupled fractional integrable system by Jan Muhammad, Usman Younas, D.K. Almutairi, Aziz Khan, Thabet Abdeljawad

“…The Akbota equation, is a basic tool for investigating nonlinear phenomena in optics, differential geometry of curves, and magnetism. The optical wave solutions are extracted in the forms of different solitary waves as well as periodic, hyperbolic exponential function solutions. …”
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Translating Building Information Modeling to Building Energy Modeling Using Model View Definition by WoonSeong Jeong, Jong Bum Kim, Mark J. Clayton, Jeff S. Haberl, Wei Yan

“…The approach (BIM2BEM) has been developed using a data modeling method to enable seamless model translations of building geometry, materials, and topology. Using data modeling, we created a Model View Definition (MVD) consisting of a process model and a class diagram. …”
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Probing DCV5T-Me for Organic Photovoltaics: A Comprehensive DFT and NEGF Study by Souraya Goumri-Said, Rachida Rahmani, Abdelkader Chouaih, Mohammed Benali Kanoun

“…This study presents a detailed computational analysis of the DCV5T-Me molecule to evaluate its potential for organic photovoltaic (OPV) applications. The optimized geometry demonstrates a stable donor-acceptor structure with well-aligned molecular orbitals conducive to charge transfer. …”
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The functional voxel algorithm for iterative composition of complex contours by A. A. Sycheva, A. M. Plaksin

“…The analytical representation most accurately describes the geometry of the simulated objects. However, its application is associated with a number of difficulties. …”
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Recent Tectonic Deformation of the Lunar Farside Mare and South Pole–Aitken Basin by C. A. Nypaver, T. R. Watters, J. D. Clark

“…Furthermore, the exact timing of SMR formation and the geometry of the associated fault structures remain poorly constrained. …”
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EEG reveals brain network alterations in chronic aphasia during natural speech listening by Ramtin Mehraram, Jill Kries, Pieter De Clercq, Maaike Vandermosten, Tom Francart

“…Differences in network geometry were assessed by means of graph theory and a targeted node-attack approach. …”
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