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gaussview 6 0 16  (Accelrys)

 
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    Structured Review

    Accelrys gaussview 6 0 16
    Optimized geometry structure, HOMO, LUMO, surface contour, total density, and ESP for moupinamide from TCF in NaCl medium. The molecular structure and electronic properties were modeled using BIOVIA Materials Studio 2020 and <t>GaussView</t> 6.0.16 with the Dmol 3 module under GGA-PBE functional and DNP basis set. The HOMO and LUMO orbitals were localized mainly on the aromatic and amide functional groups, indicating high reactivity and interaction potential with carbon steel surfaces.
    Gaussview 6 0 16, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/gaussview+6+0+16/pmc12497875-386-14-9?v=Accelrys
    Average 86 stars, based on 1 article reviews
    gaussview 6 0 16 - by Bioz Stars, 2026-07
    86/100 stars

    Images

    1) Product Images from "Electrochemical and computational investigation of Tinospora cordifolia fractions as a novel corrosion inhibitor for carbon steel in seawater medium"

    Article Title: Electrochemical and computational investigation of Tinospora cordifolia fractions as a novel corrosion inhibitor for carbon steel in seawater medium

    Journal: Scientific Reports

    doi: 10.1038/s41598-025-18572-z

    Optimized geometry structure, HOMO, LUMO, surface contour, total density, and ESP for moupinamide from TCF in NaCl medium. The molecular structure and electronic properties were modeled using BIOVIA Materials Studio 2020 and GaussView 6.0.16 with the Dmol 3 module under GGA-PBE functional and DNP basis set. The HOMO and LUMO orbitals were localized mainly on the aromatic and amide functional groups, indicating high reactivity and interaction potential with carbon steel surfaces.
    Figure Legend Snippet: Optimized geometry structure, HOMO, LUMO, surface contour, total density, and ESP for moupinamide from TCF in NaCl medium. The molecular structure and electronic properties were modeled using BIOVIA Materials Studio 2020 and GaussView 6.0.16 with the Dmol 3 module under GGA-PBE functional and DNP basis set. The HOMO and LUMO orbitals were localized mainly on the aromatic and amide functional groups, indicating high reactivity and interaction potential with carbon steel surfaces.

    Techniques Used: Functional Assay



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    Optimized geometry structure, HOMO, LUMO, surface contour, total density, and ESP for moupinamide from TCF in NaCl medium. The molecular structure and electronic properties were modeled using BIOVIA Materials Studio 2020 and <t>GaussView</t> 6.0.16 with the Dmol 3 module under GGA-PBE functional and DNP basis set. The HOMO and LUMO orbitals were localized mainly on the aromatic and amide functional groups, indicating high reactivity and interaction potential with carbon steel surfaces.
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    Image Search Results


    Optimized geometry structure, HOMO, LUMO, surface contour, total density, and ESP for moupinamide from TCF in NaCl medium. The molecular structure and electronic properties were modeled using BIOVIA Materials Studio 2020 and GaussView 6.0.16 with the Dmol 3 module under GGA-PBE functional and DNP basis set. The HOMO and LUMO orbitals were localized mainly on the aromatic and amide functional groups, indicating high reactivity and interaction potential with carbon steel surfaces.

    Journal: Scientific Reports

    Article Title: Electrochemical and computational investigation of Tinospora cordifolia fractions as a novel corrosion inhibitor for carbon steel in seawater medium

    doi: 10.1038/s41598-025-18572-z

    Figure Lengend Snippet: Optimized geometry structure, HOMO, LUMO, surface contour, total density, and ESP for moupinamide from TCF in NaCl medium. The molecular structure and electronic properties were modeled using BIOVIA Materials Studio 2020 and GaussView 6.0.16 with the Dmol 3 module under GGA-PBE functional and DNP basis set. The HOMO and LUMO orbitals were localized mainly on the aromatic and amide functional groups, indicating high reactivity and interaction potential with carbon steel surfaces.

    Article Snippet: The molecular structure and electronic properties were modeled using BIOVIA Materials Studio 2020 and GaussView 6.0.16 with the Dmol 3 module under GGA-PBE functional and DNP basis set.

    Techniques: Functional Assay