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421
Modeling Cu(II) Binding to Peptides Using the Extensible Systematic Force Field
Published 2010-01-01“…All likely copper geometries were modeled, but the results showed only a small dependence on the geometrical model in that all resulted in a distorted square pyramidal geometry about the copper, some of the imidazole rings were poorly oriented for ligation to the Cu(II), and the copper-nitrogen bond distances were too long. …”
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422
Deeper Insights into Conformational Analysis of cis-Butene and 1-Alkenes as Monomers and Dimers: QTAIM, NCI, and DFT Approach
Published 2019-01-01“…In monomers of 1-alkenes, the most stable conformer has bent-inward geometry which favors the π bond interaction with methyl/methylene hydrogen/carbon atoms. …”
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423
A Preliminary Research on Combustion Characteristics of a Novel-Type Scramjet Combustor
Published 2022-01-01“…In general, the present work proposes a new geometry of the scramjet combustor; this combustor has possibility of practical application, but a further and detailed investigation is still needed.…”
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424
Generalized α-Attractor Models from Elementary Hyperbolic Surfaces
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425
F(R) Gravity’s Rainbow and Its Einstein Counterpart
Published 2016-01-01“…Motivated by UV completion of general relativity with a modification of a geometry at high energy scale, it is expected to have an energy dependent geometry. …”
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426
Parameter Study and Economic Efficiency Optimization for Laser Cladding with Wide-Band Fiber Laser
Published 2022-01-01“…With the aim of investigating the cladding geometry characteristics by a wide-band fiber laser with coaxial rectangular nozzle, and optimizing the powder efficiency and deposition speed for economy efficiency, Fe-based alloy powder was deposited on AISI 1045 substrate by a 3000 W fiber laser in this study. …”
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427
Computing and Comparing Effective Properties for Flow and Transport in Computer-Generated Porous Media
Published 2017-01-01“…We also find that when a pore geometry is characterized by an anisotropic permeability, the diffusive tortuosity (and correspondingly the effective diffusion coefficient) can also be anisotropic. …”
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428
Desain Media Pembelajaran dengan Model Problem-based Learning dan Gamitifikasi untuk Materi Bangun Ruang Tingkat SMK Berbasis Virtual Rality
Published 2022-02-01“…The output produced from this research is design of educational media using the Problem-Based Learning and Gamification for geometry subjects on Vocational High School - based Virtual Reality which aims to motivate students in learning so as to help the learning process of geometry subjects. …”
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429
A Multiscale Model for Virus Capsid Dynamics
Published 2010-01-01“…In this work, we propose a differential geometry-based multiscale paradigm to model complex biomolecule systems. …”
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430
Inverse Design of Centrifugal Compressor Stages Using a Meanline Approach
Published 2004-01-01“…The opposite process, that of calculating performance parameters based on geometry input is usually called analysis, or direct calculation. …”
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431
A Novel Method for Preparation of Zn-Doped CuInS2 Solar Cells and Their Photovoltaic Performance
Published 2013-01-01“…Shape evolution of the Zn-doped CuInS2 nanocrystals from initially spherical to pyramidal, to cubic, and finally to a bar geometry was detected as a function of time of exposure to magnetic induction. …”
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432
A Broadband Left-Handed Metamaterial Microstrip Antenna with Double-Fractal Layers
Published 2017-01-01“…This periodic geometry is derived from fractal shapes, which have been widely used in antenna engineering. …”
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433
Flat-band ratio and quantum metric in the superconductivity of modified Lieb lattices
Published 2025-01-01“…It has been predicted that the quantum geometry of the bands as well as the ratio of the number of flat bands to the number of orbitals determine flat band superconductivity. …”
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434
Inverse Fourier Transform in the Gamma Coordinate System
Published 2011-01-01“…Our analysis on the motion of the frequency plane is related to the Frenet-Serret theorem in the differential geometry.…”
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435
Modified particle dynamics and thermodynamics in a traversable wormhole in bumblebee gravity
Published 2025-01-01“…Furthermore, we derive the thermodynamic properties of photon-like modes by incorporating the modified dispersion relation arising from the wormhole geometry, focusing on non-interacting particle modes. …”
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436
Synthesis and Numerical Analysis of Compliant Devices: A Topology Optimization Approach for Mechanisms and Robotic Systems
Published 2022-01-01“…Then, the geometry is topology optimized to analyze stress, safety factor, output deflection, and mass reduction. …”
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437
Hadron momentum spectra from analytical solutions of relativistic hydrodynamics
Published 2025-01-01“…We compare our results for transverse momentum spectra with experimental results from Large Hadron Collider and CERN SPS where one expects cylindrical and spherical geometry of the fireball, respectively. In the case of low-energy collisions with spherical geometry, we calculate rapidity spectra and compare with the results from CERN SPS.…”
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438
Synthesis and biological evaluation for some metal complexes with a new ligand (E)-3-(((2-amino-4-methylphenyl)imino)methyl)-4H-chromen-4-one
Published 2025-01-01“…The data which obtain from analysis indicate that the complexes have octahedral geometry around the metal center except cadmium complex exhibit tetrahedral geometry. …”
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439
Symplectic quantization and general constraint structure of a prototypical second-class system
Published 2024-12-01“…We consider two straightforward examples, applying our general results to constrained motion along a toroidal geometry and to a Lorentz violating toy model in field theory. …”
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440
Review of Root-Mean-Square Error Calculation Methods for Large Deployable Mesh Reflectors
Published 2022-01-01“…The surface accuracy is usually specified as root-mean-square error, which measures deviation of a mesh geometry from a desired working surface. In this paper, methods of root-mean-square error calculation for large deployable mesh reflectors are reviewed. …”
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