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47 ta ish

Ish: Intramolecular interactions and optical properties of indole-containing alkaloids extracted from Arundo donax L.

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

    Chengteh Lee, Weitao Yang, Robert G. Parr

    MaqolaOchiq kirish1988107 iqtibos
    ABI

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

    Axel D. Becke

    Maqola199399 iqtibos
    ABI

  3. Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

    R. Krishnan, J. Stephen Binkley, Rolf Seeger +1

    Maqola198032 iqtibos
    ABI

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

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Maqola201132 iqtibos
    ABI

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

    Carlo Adamo, Vincenzo Barone

    Maqola199918 iqtibos
    ABI

  6. Sarlavhasiz

    Boshqa14 iqtibos
    ABI

  7. Revealing Noncovalent Interactions

    Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez +3

    Maqola201012 iqtibos
    ABI

  8. A quantum theory of molecular structure and its applications

    Richard F. W. Bader

    Sharh maqola199111 iqtibos
    ABI

  9. Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

    B. Miehlich, Andreas Savin, Hermann Stoll +1

    Maqola198911 iqtibos
    ABI

  10. 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

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

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

    Maqola20048 iqtibos
    ABI

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

    Thom H. Dunning

    Maqola19897 iqtibos
    ABI

  13. 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

  14. Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

    Rick A. Kendall, Thom H. Dunning, Robert J. Harrison

    Maqola19925 iqtibos
    ABI

  15. General Strategy for Computing Nonlinear Optical Properties of Large Neutral and Cationic Organic Chromophores in Solution

    Enrico Benassi, Franco Egidi, Vincenzo Barone

    Maqola20154 iqtibos
    ABI

  16. 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

  17. Atoms in Molecules — a Quantum Theory

    W.J. Orville-Thomas

    Maqola19963 iqtibos
    ABI

  18. 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

  19. Alkaloids of Arundo donax L.

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

    MaqolaPlant tissue culture and regenerationRussian Chemical Bulletin20043 iqtibos
    ABI

  20. Alkaloids from Arundo donax. XVII. Structure of the Dimeric Indole Alkaloid Arundaphine

    V. U. Khuzhaev, I. Zh. Zhalolov, K. K. Turgunov +4

    MaqolaBioenergy crop production and managementChemistry of Natural Compounds20042 iqtibos
    ABI

  21. Alkaloids from Arundo donax. XVI. Structure of the New Dimeric Indole Alkaloid Arundavine

    V. U. Khuzhaev, I. Zh. Zhalolov, K. K. Turgunov +4

    MaqolaBioenergy crop production and managementChemistry of Natural Compounds20042 iqtibos
    ABI

  22. The development and current status of perennial rhizomatous grasses as energy crops in the US and Europe

    Iris Lewandowski, J. M. O. Scurlock, Eva Lindvall +1

    Maqola20032 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  24. OCCURRENCE OF CURARIMIMETIC INDOLES IN THE FLOWERS OF<i>ARUNDO DONAX</i>

    S. Ghosal, Ratan K. Chaudhuri, Sushil Kumar Dutta +1

    Maqola19722 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa2 iqtibos
    ABI