Showing 1 - 3 results of 3 for search '"Natural density"', query time: 0.11s Refine Results
  1. 1
    Fe<inline-formula><math display="inline"><semantics><mrow><msub><mi mathvariant="bold">C</mi><mn mathvariant="bold">4</mn></msub><msubsup><mi mathvariant="bold">H</mi><mn mathvariant="bold">2</mn><mrow><mrow><mn mathvariant="bold">2</mn><mo mathvariant="bold">+</mo></mrow></mrow></msubsup></mrow></semantics></math></inline-formula> Encompassing Planar Tetracoordinate Iron: Structure and Bonding Patterns

    Fe<inline-formula><math display="inline"><semantics><mrow><msub><mi mathvariant="bold">C</mi><mn mathvariant="bold">4</mn></msub><msubsup><mi mathvariant="bold">H</mi><mn mathvaria... by Shilpa Shajan, Kandasamy Thirunavukkarsu, Vijayanand Chandrasekaran, Venkatesan S. Thimmakondu, Krishnan Thirumoorthy

    Published 2024-02-01
    “…The bonding features of ptFe in the singlet electronic state are analyzed with natural bond orbital (NBO) analysis, adaptive natural density partitioning (AdNDP), and molecular orbital analysis. …”
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  2. 2
    Five Bonds to Carbon through Tri-Coordination in <inline-formula><math display="inline"><semantics><mrow><msub><mrow><mi>Al</mi></mrow><mn>3</mn></msub><msubsup><mi mathvariant="normal">C</mi><mn>3</mn><mrow><mo>−</mo><mo>/</mo><mn>0</mn></mrow></msubsup></mrow></semantics></math></inline-formula>

    Five Bonds to Carbon through Tri-Coordination in <inline-formula><math display="inline"><semantics><mrow><msub><mrow><mi>Al</mi></mrow><mn>3</mn></msub><msubsup><mi mathvariant="... by Abdul Hamid Malhan, Venkatesan S. Thimmakondu, Krishnan Thirumoorthy

    Published 2023-05-01
    “…Chemical bonding features are thoroughly analyzed for these two isomers (<b>1a</b> and <b>1n</b>) with different bonding and topological quantum chemical tools, such as adaptive natural density partitioning (AdNDP), Wiberg Bond Indices (WBIs), nucleus-independent chemical shifts (NICS), and atoms in molecules (AIM) analyses. …”
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  3. 3
    Pentacoordinate Carbon Atoms in a Ferrocene Dication Derivative—[Fe(Si<sub>2</sub>-<i>η</i><sup>5</sup>-C<sub>5</sub>H<sub>2</sub>)<sub>2</sub>]<sup>2+</sup>

    Pentacoordinate Carbon Atoms in a Ferrocene Dication Derivative—[Fe(Si<sub>2</sub>-<i>η</i><sup>5</sup>-C<sub>5</sub>H<sub>2</sub>)<sub>2</sub>]<sup>2+</sup> by Shilpa Shajan, Jin-Chang Guo, Aland Sinjari, Krishnan Thirumoorthy, Venkatesan S. Thimmakondu

    Published 2022-09-01
    “…Natural bond orbital and adaptive natural density partitioning analyses confirm the pentacoordinate nature of carbon in these three complexes (<b>1</b>–<b>3</b>). …”
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