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42 works

Work: Crystal structure and interaction energy framework analysis of a bioactive Mo(VI) coordination compound

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  4. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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    Article198899 citations
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  5. <i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

    Peter R. Spackman, Michael J. Turner, Joshua J. McKinnon +4

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  6. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

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  7. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

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  8. <i>CrystalExplorer</i>model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

    Campbell F. R. Mackenzie, Peter R. Spackman, Dylan Jayatilaka +1

    Article201723 citations
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  9. Recent Developments in the Methods and Applications of the Bond Valence Model

    I. D. Brown

    Review article200912 citations
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  10. <i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

    P. Jeffrey Hay, Willard R. Wadt

    Article198510 citations
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  11. Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database

    I. D. Brown, D. Altermatt

    Article19857 citations
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    Other6 citations
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  13. “AquaF” Building Blocks for Water-Compatible S<sub>N</sub>2 <sup>18</sup>F-Fluorination of Small-Molecule Radiotracers

    Zhaobiao Mou, Yiwei Zhu, Lei Zhang +9

    Article20245 citations
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  14. Untitled

    Other5 citations
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  15. Direct and solvent-assisted thione–thiol tautomerism in 5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione: Experimental and molecular modeling study

    N. Burcu Arslan, Namık Özdemir, Osman Dayan +4

    Article20143 citations
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  16. Untitled

    Other2 citations
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    Other2 citations
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    Other2 citations
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    Other2 citations
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    Other1 citations
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    Other1 citations
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    Other1 citations
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    Other1 citations
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