Search Results - "Geometry optimization"

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  1. 1
    Crystallographic and geometry-optimization study on 2, 4, 6-trinitrophenol: 3-methyl-4-nitropyridine N-oxide (1/1)

    Crystallographic and geometry-optimization study on 2, 4, 6-trinitrophenol: 3-methyl-4-nitropyridine N-oxide (1/1) by Zain, Sharifuddin Md, Ng, S.W., Mohammad, M.R.

    Published 2005
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  2. 2
    First principles investigations of rotational barrier and hyperfine interactions of muonium in tetraphenylsilane / Pek–Lan Toh ... [et al.]

    First principles investigations of rotational barrier and hyperfine interactions of muonium in tetraphenylsilane / Pek–Lan Toh ... [et al.] by Toh, Pek–Lan, Sulaiman, Shukri, Mohamed–Ibrahim, Mohamed Ismail, Jayasooriya, Upali A.

    Published 2012
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  3. 3
    Simulation on the urease inhibition by benzimidazole / Nur Ailisha Khairul Azman

    Simulation on the urease inhibition by benzimidazole / Nur Ailisha Khairul Azman by Khairul Azman, Nur Ailisha

    Published 2022
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  4. 4
    Geometry optimization of dry ice blasting nozzle for the noise reduction using experimental validation

    Geometry optimization of dry ice blasting nozzle for the noise reduction using experimental validation by Mat, Mohamad Nur Hidayat

    Published 2019
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  5. 5
    Prediction of carbamazepine-succinic acid co-crystal dissolution in ethanolic solution using a computational molecular dynamic simulation technique

    Prediction of carbamazepine-succinic acid co-crystal dissolution in ethanolic solution using a computational molecular dynamic simulation technique by Pauzi, Noor Sazmira

    Published 2018
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  6. 6
    Optimum design of thrust air bearing for hard disk drive spindle motor

    Optimum design of thrust air bearing for hard disk drive spindle motor by Ibrahim, M.D, Namba, T., Ochiai, M., Hashimoto, H.

    Published 2010
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  7. 7
    First principle DFT+U study on the structural, dynamical, and electronic properties of multiferroic BiFe0₃ / Muhamad Zafrol Jusoh

    First principle DFT+U study on the structural, dynamical, and electronic properties of multiferroic BiFe0₃ / Muhamad Zafrol Jusoh by Jusoh, Muhamad Zafrol

    Published 2013
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  8. 8
    Simulation‑based architecture of a stable large‑area JDBD atmospheric plasma source

    Simulation‑based architecture of a stable large‑area JDBD atmospheric plasma source by M.V., Roshan, S., Razaghi, A., Singh

    Published 2023
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  9. 9
    2-aminopyrimidin-1-ium trichloroacetate

    2-aminopyrimidin-1-ium trichloroacetate by Hu, M.L., Ng, Seik Weng, Zain, Sharifuddin Md, Ye, M.D.

    Published 2002
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  10. 10
    Determining The Catalytic Properties Of A Material Using Relative Bond Strength

    Determining The Catalytic Properties Of A Material Using Relative Bond Strength by M. A. Miswan, G. Gopir, M. M. Anas, W. M. A. Wan Mohd Kamil

    Published 2024
    Subjects: “…Fuel cell; catalyst; bond length; bond strength; relative bond strength; DFT; geometry optimization…”
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  11. 11
    Ab-initio Calculations of the Structural, Electronic and Optical Properties of (CdSe)2 Clusters

    Ab-initio Calculations of the Structural, Electronic and Optical Properties of (CdSe)2 Clusters by Alselawe A.I.A., Jumali M.H.H., Gopir G., Anas M.M.

    Published 2024
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  12. 12
    Machining Parameters And Tool Geometry Optimization For Trimming Composite Laminates Using Response Surface Methodology

    Machining Parameters And Tool Geometry Optimization For Trimming Composite Laminates Using Response Surface Methodology by Sundi, Syahrul Azwan

    Published 2021
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  13. 13
    Surface Passivation Effect of Hydrogen and Methyl on the Structural and Electronic Properties of Silicon Quantum Dots: Density Functional Calculation

    Surface Passivation Effect of Hydrogen and Methyl on the Structural and Electronic Properties of Silicon Quantum Dots: Density Functional Calculation by Muhammad Mus-'ab Anas, Geri Gopir

    Published 2024
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  14. 14
    First principles investigations of electronic structures and hyperfine interactions of Muonium in tetraphenylsilane / Pek–Lan Toh ... [et al.]

    First principles investigations of electronic structures and hyperfine interactions of Muonium in tetraphenylsilane / Pek–Lan Toh ... [et al.] by Toh, Pek–Lan, Sulaiman, Shukri, Mohamed–Ibrahim, Mohamed Ismail, Jayasooriya, Upali A.

    Published 2012
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  15. 15
    2-(3-Carboxymethyl-4-nitrophenyl) propionic acid

    2-(3-Carboxymethyl-4-nitrophenyl) propionic acid by Huo, L.H., Ng, S.W., Zain, Sharifuddin Md, Zhao, H., Gao, S.

    Published 2004
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  16. 16
    Density Functional Theory Investigation On The Electronic Structures, Dynamics, And Hyperfine Interactions Of Muoniated Tetraphenyl Derivatives

    Density Functional Theory Investigation On The Electronic Structures, Dynamics, And Hyperfine Interactions Of Muoniated Tetraphenyl Derivatives by Toh, Pek Lan

    Published 2013
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  17. 17
    Prediction of carbamazepine-succinic acid co-crystal dissolution in ethanolic solution using a computational molecular dynamic simulation technique : article

    Prediction of carbamazepine-succinic acid co-crystal dissolution in ethanolic solution using a computational molecular dynamic simulation technique : article by Pauzi, Noor Sazmira, Anuar, Nornizar, Yusop, Siti Nurul ‘Ain, Md Azmi, Nik Salwani

    Published 2018
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  18. 18
    AB-initio studies on the electronic properties of new ferroelectric materials based on bulk SnB03 (B=Ti, Zr) and super lattice SnZr03/SnTi03 with using density functional theory (DFT). / Muhamad Kamil Yaakob

    AB-initio studies on the electronic properties of new ferroelectric materials based on bulk SnB03 (B=Ti, Zr) and super lattice SnZr03/SnTi03 with using density functional theory (D... by Yaakob, Muhamad Kamil

    Published 2010
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  19. 19
    Uridine-Derived 4-Aminophenyl 1-Thioglucosides : DFT Optimized FMO, ADME, and Antiviral Activities Study

    Uridine-Derived 4-Aminophenyl 1-Thioglucosides : DFT Optimized FMO, ADME, and Antiviral Activities Study by Mohammad Atiqur, Rahman, Unesco, Chakma, Ajoy, Kumar, Md. Rezaur, Rahman, Mohammed Mahbubul, Matin

    Published 2023
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  20. 20
    The study of density functional theory on selected functionalized MWCNTs as adsorbent of methylene blue / Nashita Aliah Fahira Ahmad Fadzil and Marina Mokhtar

    The study of density functional theory on selected functionalized MWCNTs as adsorbent of methylene blue / Nashita Aliah Fahira Ahmad Fadzil and Marina Mokhtar by Ahmad Fadzil, Nashita Aliah Fahira, Mokhtar, Marina

    Published 2020
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