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1101
Self-Assembled Monolayers for Dental Implants
Published 2018-01-01“…., the synthetic chemistry of organic compounds with a wide range of functional groups is well established and in general very simple, being commercially available), combined with the simple methods to pattern their functional groups on complex geometry appliances, makes them a good system for fundamental studies regarding the interaction between surfaces, proteins, and cells, as well as to engineering surfaces in order to develop new biomaterials.…”
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1102
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP AND MOLECULAR DOCKING STUDIES OF HYDROXAMIC ACID DERIVATIVES AS NOVEL CLASS INHIBITORS AGAINST HELICOBACTER PYLORI UREASE
Published 2019-12-01“…Density Functional Theory (DFT) using B3LYP/6-31G* quantum chemical calculation method was used to find the optimized geometry of the studied compounds. Eight types of molecular descriptors were used to find out the relation between antipeptic ulcer (APU) activity and structural properties. …”
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1103
Multiobjective Synthesis of Steerable UWB Circular Antenna Array considering Energy Patterns
Published 2015-01-01“…In order to obtain an energy pattern with low side lobe level and a desired main beam, the synthesis presented is performed by optimizing the true-time delays and amplitude coefficients for the antenna elements in a circular geometry. The method of Differential Evolution for Multiobjective Optimization (DEMO) is used as the optimization algorithm in this work. …”
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1104
A Two-Dimensional Cell Model of Phases Transport in a Fluidized Bed Column: Development and Validation
Published 2025-11-01“…The representative volume of such geometry is apparently used for modeling the motion of fluidized bed phases for the first time. …”
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1105
Synthesis, Spectroscopic Characterisation, and Biopotential and DNA Cleavage Applications of Mixed Ligand 4-N,N-Dimethylaminopyridine Metal Complexes
Published 2013-01-01“…From the magnetic moment measurements and the electronic spectral data, a distorted octahedral geometry was proposed for the complexes. The complexes express similar trend of thermal behaviour such that they lose water of hydration initially with the subsequent emission of organic and inorganic fragments and leave left the metal oxides as residue. …”
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1106
Theoretical Study of the π-Bridge Influence with Different Units of Thiophene and Thiazole in Coumarin Dye-Sensitized Solar Cells
Published 2016-01-01“…Eight coumarin derivative dyes were studied by varying the π-bridge size with different thiophene and thiazole units for their potential use in dye-sensitized solar cells (DSSC). Geometry optimization, the energy levels and electron density of the Highest Occupied Molecular Orbital and the Lowest Unoccupied Molecular Orbital, and ultraviolet-visible absorption spectra were calculated by Density Functional Theory (DFT) and Time-Dependent-DFT. …”
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1107
Dioxaphosphorinane-Constrained Nucleic Acid Dinucleotides as Tools for Structural Tuning of Nucleic Acids
Published 2012-01-01“…We describe a rational approach devoted to modulate the sugar-phosphate backbone geometry of nucleic acids. Constraints were generated by connecting one oxygen of the phosphate group to a carbon of the sugar moiety. …”
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1108
Algorithm for preliminary processing of charge coupled devices array data based on the adaptive Wiener filter
Published 2021-03-01“…The practical application of the algorithm has reduced the uncertainty in the vegetation index NDVI by 1.5 times when recording the reflection spectra of vegetation from the aircraft in the nadir measurement geometry.…”
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1109
Negative Ion Beam Emittance Calculations
Published 2020-03-01“…The aim of the paper was to study changes of produced beam quality (described by its emittance and brightness) with the geometry of the extraction system as well as extraction voltage.A two-dimensional Particle-in-Cell (PIC) method based code was applied to model Hions and electrons extraction from the ion source plasma chamber through the opening with bevelled surface. …”
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1110
Microscopic Simulation-Based High Occupancy Vehicle Lane Safety and Operation Assessment: A Case Study
Published 2018-01-01“…It is shown that the proposed alternative geometry design efficiently ameliorates the traffic conflicts issues. …”
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1111
An Experimental Study on the Microstructures of Cemented Paste Backfill during Its Developing Process
Published 2018-01-01“…The aim of this study was to examine the microstructure of cemented paste backfill (CPB) during its development and relate the characteristics of the microstructure to the physical and mechanical properties of CPB. The geometry and morphology of the microstructures of CPB were observed by the scanning electron microscopy (SEM). …”
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1112
Second-order optical differentiation of a 3D light beam at oblique incidence using a multilayer metal-dielectric structure
Published 2023-12-01“…We investigate the optical implementation of a second-order differentiation operation using a metal-dielectric layered structure in the oblique incidence geometry. It is shown that the transformation of the profile of a three-dimensional light beam occurring upon its reflection from a layered structure can be described using the theory of linear systems. …”
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1113
Crystal and Molecular Structure of Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl) acetamido)copper(II) Complex
Published 2011-01-01“…This coordination has a slightly distorted square-planar geometry (O1-Cu1-O2: 86.48(11)°, O1-Cu1-S1: 93.85(9)°, O2-Cu1-S2: 94.20(9)° and S1-Cu1-S2: 91.21(4)°). …”
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1114
Comparative acoustic analysis of standard and innovative air diffusers with enhanced mixing capabilities
Published 2025-01-01“…This study addresses the challenge of designing a high-induction air diffuser with a complex geometry that effectively mixes and entrains more ambient air, raising concerns about potential noise increase. …”
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1115
Comparative analysis of flow patterns in off-design planar and conical nozzle
Published 2025-01-01“…These findings provide insights into the impact of nozzle geometry on flow characteristics under off-design conditions. …”
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1116
Experimental and Theoretical Studies on the Structure and Photoluminescent Properties of New Mononuclear and Homodinuclear Europium(III) β-Diketonate Complexes
Published 2015-01-01“…The experimental data has then been used to test the recently released LUMPAC software, a promising tool which can facilitate the design of more efficient lanthanide light-conversion molecular devices by combining ground state geometry, excited state energy, and luminescent properties calculations.…”
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1117
Investigation on Crack Coalescence Behaviors for Granite Containing Two Flaws Induced by Cyclic Freeze-Thaw and Uniaxial Deformation in Beizhan Iron Mining, Xinjing, China
Published 2020-01-01“…This work is aimed at investigating the effect of freeze-thaw (F-T) cycle on the crack coalescence behavior for granite samples containing two unparallel flaws under uniaxial compression. The flaw geometry in the samples was a combination of an upper inclined flaw with a horizontal flaw underneath. …”
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1118
A Patient Specific Biomechanical Analysis of Custom Root Analogue Implant Designs on Alveolar Bone Stress: A Finite Element Study
Published 2016-01-01“…Within the limitations of the applied methodology, adding targeted press-fit geometry to the RAI standard design will have a positive effect on stress distribution, lower concentration of bone stress, and will provide a better primary stability for this patient specific case.…”
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1119
Real-Time 3D Simulation for the Trawl Fishing Gear Based on Parallel Processing of Sonar Sensor Data
Published 2014-07-01“…This tool also offers different underwater geometries for each fishing gear through a multiview display. …”
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1120
Coseismic Deformation Responses due to Geometrical Structure and Heterogeneity of the Accretionary Wedge: Study Case 2010 Mentawai Earthquake, West Sumatra, Indonesia
Published 2023-01-01“…We examined the impact of the accretionary wedge geometry and material properties by considering the wedge as a single different property separated from the continental plate. …”
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