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17 ta ish

Ish: Intramolecular Interactions and Optical Properties of Indole-Containing Alkaloids Extracted from Arundo Donax L

  1. Effect of the damping function in dispersion corrected density functional theory

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Maqola201132 iqtibos
    ABI

  2. Toward reliable density functional methods without adjustable parameters: The PBE0 model

    Carlo Adamo, Vincenzo Barone

    Maqola199918 iqtibos
    ABI

  3. Sarlavhasiz

    Boshqa14 iqtibos
    ABI

  4. Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, <i>Z</i>=11–18

    A. D. McLean, G. S. Chandler

    Maqola19808 iqtibos
    ABI

  5. A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

    Takeshi Yanai, David P. Tew, Nicholas C. Handy

    Maqola20048 iqtibos
    ABI

  6. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

    Thom H. Dunning

    Maqola19897 iqtibos
    ABI

  7. Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

    Curt M. Breneman, Kenneth B. Wiberg

    Maqola19907 iqtibos
    ABI

  8. The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level

    J. Tomasi, Benedetta Mennucci, Éric Cancès

    Maqola19994 iqtibos
    ABI

  9. Natural hybrid orbitals

    J. P. Foster, Frank Weinhold

    Maqola19803 iqtibos
    ABI

  10. Chemical Characterization and Molecular Dynamics Simulations of Bufotenine by Surface-Enhanced Raman Scattering (SERS) and Density Functional Theory (DFT)

    Xuanyi Wu, María Vega Cañamares, Ioanna Kakoulli +1

    MaqolaOchiq kirish20223 iqtibos
    ABI

  11. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  12. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  13. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  14. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  15. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  16. Alkaloids of Arundo donax. XII. Structure of the New Dimeric Indole Alkaloid Arundacine

    V. U. Khuzhaev, I. Zh. Zhalolov, М. Г. Левкович +2

    MaqolaAllelopathy and phytotoxic interactionsChemistry of Natural Compounds20022 iqtibos
    ABI

  17. Sarlavhasiz

    Boshqa1 iqtibos
    ABI