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Ish: Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

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  2. Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

    Georg Kresse, J. Furthmüller

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  3. A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

    Stefan Grimme, Jens Antony, Stephan Ehrlich +1

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  4. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

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  5. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

    Stefan Grimme

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  6. Sarlavhasiz

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  7. Projector augmented-wave method

    Peter E. Blöchl

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  8. From ultrasoft pseudopotentials to the projector augmented-wave method

    Georg Kresse, Daniel P. Joubert

    Maqola199949 iqtibos
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  9. Introduction to Solid State Physics

    C. Kittel, D. L. Dexter

    Maqola195319 iqtibos
    ABI

  10. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

    John P. Perdew, J. A. Chevary, S. H. Vosko +4

    MaqolaOchiq kirish199212 iqtibos
    ABI

  11. <i>Ab initio</i>molecular dynamics for open-shell transition metals

    Georg Kresse, J. Häfner

    Maqola19937 iqtibos
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  12. Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

    John P. Perdew, J. A. Chevary, S. H. Vosko +4

    BoshqaOchiq kirish19937 iqtibos
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  13. The work function of the elements and its periodicity

    Herbert B. Michaelson

    Maqola19774 iqtibos
    ABI

  14. General Model for Water Monomer Adsorption on Close-Packed Transition and Noble Metal Surfaces

    Angelos Michaelides, Víctor A. Ranea, P. L. de Andrés +1

    MaqolaOchiq kirish20033 iqtibos
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  15. Ternary Pt/Rh/SnO2 electrocatalysts for oxidizing ethanol to CO2

    A. Kowal, M. Li, Minhua Shao +7

    Maqola20093 iqtibos
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  16. Geometries and energetics of methanol–ethanol clusters: a VUV laser/time-of-flight mass spectrometry and density functional theory study

    Y Liu, Styliani Consta, F Ogeer +2

    Maqola20073 iqtibos
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  17. Adsorption of water monomer and clusters on platinum(111) terrace and related steps and kinks

    Líney Árnadóttir, Eric M. Stuve, Hannes Jónsson

    Maqola20102 iqtibos
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  18. DFT studies for cleavage of C$z.sbnd;C and C$z.sbnd;O bonds in surface species derived from ethanol on Pt(111)

    R. Alcalá

    Maqola20032 iqtibos
    ABI

  19. Renewable Hydrogen from Ethanol by Autothermal Reforming

    Gregg A. Deluga, J. R. Salge, L.D. Schmidt +1

    Maqola20042 iqtibos
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  20. The interaction of water with solid surfaces: fundamental aspects revisited

    M Henderson

    Maqola20022 iqtibos
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  21. Density functional theory in surface chemistry and catalysis

    Jens K. Nørskov, Frank Abild‐Pedersen, Felix Studt +1

    MaqolaOchiq kirish20112 iqtibos
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  22. Calculation of the lattice constant of solids with semilocal functionals

    P. Haas, Fabien Tran, Peter Blaha

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  23. Rotation-Vibration Spectra of Deuterated Water Vapor

    W. S. Benedict, N. M. Gailar, Earle K. Plyler

    Maqola19562 iqtibos
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  24. Structure and Bonding of Water on Pt(111)

    Hirohito Ogasawara, Barbara Brena, Dennis Nordlund +4

    Maqola20022 iqtibos
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  25. Current Status of Hydrogen Production Techniques by Steam Reforming of Ethanol:  A Review

    Agus Haryanto, Sandun Fernando, N. S. Murali +1

    Sharh maqola20052 iqtibos
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