Showing 681 - 700 results of 64,455 for search '(( 50 ((we decrease) OR (((mean decrease) OR (a decrease)))) ) OR ( 2 e decrease ))', query time: 1.25s Refine Results
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    Ab Initio Study of the Substituent Effects on the Relative Stability of the <i>E</i> and <i>Z</i> Conformers of Phenyl Esters. Stereoelectronic Effects on the Reactivity of the Car... by Helmi Neuvonen (2643793)

    Published 2005
    “…The n<sub>O</sub> → π*<sub>C</sub><sub></sub><sub>O</sub> electron donation has a minimum value with τ<sub>1</sub> = 90° and a maximum value with τ<sub>1</sub> = 0° (the <i>Z</i> conformer), the value with τ<sub>1</sub> = 180° (the <i>E</i> conformer) being between these two values, obviously due to steric hindrance. …”
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    Dimerization of [Fe<sup>III</sup>(bpy)<sub>3</sub>]<sup>3+</sup> in Aqueous Solutions: Elucidating a Mechanism Based on Historical Proposals, Electrochemical Data, and Computationa... by Nicolas E. Holubowitch (9254254)

    Published 2022
    “…Despite these favorable characteristics, its oxidized Fe­(III) form undergoes dimerization to form μ-O-[Fe<sup>III</sup>(bpy)<sub>2</sub>(H<sub>2</sub>O)]<sub>2</sub><sup>4+</sup>, leading to a dramatic ∼0.7 V decrease during battery discharge. …”
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    Example of skyline query for proteins. by Rizka Fatriani (17485787)

    Published 2024
    “…The stability of the protein-ligand complex resulting from docking was examined using molecular dynamics simulations, and we observed the best average root mean square deviation (RMSD) of 0.99 Å for PPARG with trans-3-indoleacrylic acid, which was lower than with the native ligand BRL (2.02 Å). …”
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    Top 10 pathways with the lowest p-value. by Rizka Fatriani (17485787)

    Published 2024
    “…The stability of the protein-ligand complex resulting from docking was examined using molecular dynamics simulations, and we observed the best average root mean square deviation (RMSD) of 0.99 Å for PPARG with trans-3-indoleacrylic acid, which was lower than with the native ligand BRL (2.02 Å). …”
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    Pseudocode of block-nested loop (BNL). by Rizka Fatriani (17485787)

    Published 2024
    “…The stability of the protein-ligand complex resulting from docking was examined using molecular dynamics simulations, and we observed the best average root mean square deviation (RMSD) of 0.99 Å for PPARG with trans-3-indoleacrylic acid, which was lower than with the native ligand BRL (2.02 Å). …”
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    Top 10 gene ontologies with the lowest p-value. by Rizka Fatriani (17485787)

    Published 2024
    “…The stability of the protein-ligand complex resulting from docking was examined using molecular dynamics simulations, and we observed the best average root mean square deviation (RMSD) of 0.99 Å for PPARG with trans-3-indoleacrylic acid, which was lower than with the native ligand BRL (2.02 Å). …”
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