-
101
Investigating heterogeneous defects in single-crystalline WS2 via tip-enhanced Raman spectroscopy
Published 2022-09-01“…In addition, the TERS signals from single-crystalline WS2 indicate the existence of two majority defects in each domain, which imply S- and W-dominated vacancies. Quantum mechanical computations were performed for each majority defect and demonstrated the defect-induced variation in the vibrational phonon modes. …”
Get full text
Article -
102
First-principles study of electronic and optical properties of antimony sulphide thin film
Published 2020“…First-principles quantum mechanical computational methods are significant tools to understand the details of crystal structures which might be difficult through experimentation. …”
Article -
103
RUPPERT DİŞLİ KUTUSUNUN BİLGİSAYAR DESTEKLİ KİNEMATİK TASARIMI
Published 2007-03-01Get full text
Article -
104
Optimisation of transmission towers under multiple load cases and constraint conditions with the KSM-GA method
Published 2023-06-01“…Popular intelligent algorithms (Genetic Algorithm, GA; Particle Swarm Optimisation, PSO; and others) need to spend time in structural mechanical computation and search processes. To solve this problem, the commercial FE software ABAQUS was used to build the full parametric analytical and computational sub-procedures (general static, linear buckling and cost computation) for the transmission tower under multiple load cases and constraint conditions. …”
Get full text
Article -
105
Effects of hydrogen addition on structure and NO formation of highly CO-Rich syngas counterflow nonpremixed flames under MILD combustion regime
Published 2021“…To realistically predict the flame properties of the highly CO-rich syngas, the chemistry is represented by the modified GRI 3.0 mechanism. Computations are performed to precisely analyze the flame structure, NO formation rate, and EINO of each NO sub-mechanism. …”
Article -
106
-
107
Validation of Numerical Model of the Twaron® CT709 Ballistic Fabric
Published 2014-06-01Get full text
Article -
108
RUPPERT DİŞLİ KUTUSUNUN BİLGİSAYAR DESTEKLİ KİNEMATİK TASARIMI
Published 2007-03-01Get full text
Article -
109
RUPPERT DİŞLİ KUTUSUNUN BİLGİSAYAR DESTEKLİ KİNEMATİK TASARIMI
Published 2007-03-01Get full text
Article -
110
RUPPERT DİŞLİ KUTUSUNUN BİLGİSAYAR DESTEKLİ KİNEMATİK TASARIMI
Published 2007-03-01Get full text
Article -
111
Light-Sensitive Open Channel Block of Ionotropic Glutamate Receptors by Quaternary Ammonium Azobenzene Derivatives
Published 2023-09-01“…The narrow selectivity filter of the NMDA receptors did not allow the molecules to bypass them; therefore, QAQ and AAQ bound to the shallow channel site and prevented channel closure by a foot-in-the-door mechanism. Computer simulations employing available AMPA and NMDA receptor structures readily reproduced the experimental findings, allowing for the structure-based design of more potent and selective drugs in the future. …”
Get full text
Article -
112
Transformed Shell Structures Determined by Regular Networks as a Complex Material for Roofing
Published 2021-06-01“…The innovative approach to the shaping of the diverse unconventional roof structures requires the solving of many interdisciplinary problems in the field of mathematics, civil engineering, construction, morphology, architecture, mechanics, computer visualization, and programming.…”
Get full text
Article -
113
biomapp::chip: large-scale motif analysis
Published 2024-03-01“…Abstract Background Discovery biological motifs plays a fundamental role in understanding regulatory mechanisms. Computationally, they can be efficiently represented as kmers, making the counting of these elements a critical aspect for ensuring not only the accuracy but also the efficiency of the analytical process. …”
Get full text
Article -
114
Anti-Metatype Antibody Screening, Sandwich Immunoassay Development, and Structural Insights for β-Lactams Based on Penicillin Binding Protein
Published 2021-09-01“…To reveal the detection mechanism, computational chemistry and molecular recognition study were carried out. …”
Get full text
Article -
115
Angiogenin mutations in Hungarian patients with amyotrophic lateral sclerosis: Clinical, genetic, computational, and functional analyses
Published 2019-06-01“…To elucidate the role of the R33W mutation in the disease mechanism, computational, and functional analyses were performed. …”
Get full text
Article -
116
Review of Transport Phenomena and Popular Modelling Approaches in Membrane Distillation
Published 2021-02-01“…The three popular modelling approaches introduced are modelling by conventional methods, computational fluid dynamics (CFD) and response surface methodology (RSM), which are based on classic transport mechanism, computer science and mathematical statistics, respectively. …”
Get full text
Article -
117
Impact of Well Placement in the Fractured Geothermal Reservoirs Based on Available Discrete Fractured System
Published 2022-01-01“…Based on the result, the production well position search in the future will be reduced to the high-density fracture area, and it will make the optimization process according to the THM mechanism computationally efficient and economical.…”
Get full text
Article -
118
Effects and mechanism of natural phenolic acids/fatty acids on copigmentation of purple sweet potato anthocyanins
Published 2022-01-01“…In addition, quantum mechanical computations were performed to investigate molecular interactions. …”
Get full text
Article -
119
Control of upper limb rehabilitation robot based on active disturbance rejection control
Published 2021-12-01“…Abstract The upper limb rehabilitation robot technology integrates rehabilitation medicine, human anatomy, mechanics, computer science, robotics, and many other disciplines. …”
Get full text
Article -
120
13.122 Ship Structural Analysis & Design, Spring 2003
Published 2003“…It requires a sufficient background in structural mechanics. Computer applications are utilized, with emphasis on the theory underlying the analysis. …”
Get full text