Đang hiển thị 1 - 10 kết quả của 18 cho tìm kiếm '"Density functionals."', thời gian truy vấn: 0.03s Tinh chỉnh kết quả
  1. 1

    Density functional theory study of CO2 adsorption on Cu-doped WO3 Bằng Muldong, Renz Mikhail C.

    Được phát hành 2025
    Abstract
    Sách

    Density functional theory study of CO2 adsorption on Cu-doped WO3
  2. 2

    Machine Learning-accelerated Density Functional Theory (ML-DFT) screening of bimetallic transition metal surfaces based on single-atom adsorption energy predictions Bằng Tomacruz, Jan Goran T.

    Được phát hành 2022
    Abstract
    Luận văn

    Machine Learning-accelerated Density Functional Theory (ML-DFT) screening of bimetallic transition metal surfaces based on single-atom adsorption energy predictions
  3. 3

    Towards a new class of computationally predicted carbon-based two-dimensional nanomaterials: a density functional theory (DFT) study on alkaline earth doped graphene for oxygen red... Bằng Serraon, Ace Christian F.

    Được phát hành 2019
    Abstract
    Luận văn

    Towards a new class of computationally predicted carbon-based two-dimensional nanomaterials: a density functional theory (DFT) study on alkaline earth doped graphene for oxygen reduction/evolution reaction (ORR/OER) mechanisms
  4. 4

    Density functional theory an advanced course Bằng Engel, Eberhard, Dreizler, Reiner M.

    Được phát hành 2011
    Available for UP System via Springer Link.
    Electronic Resource

    Density functional theory an advanced course
  5. 5

    Statistical complexity applications in electronic structure

    Được phát hành 2011
    Available for University of the Philippines Diliman via SpringerLink. Click here to access
    Electronic Resource

    Statistical complexity applications in electronic structure
  6. 6

    Density functional theory a practical introduction Bằng Sholl, David S., Steckel, Janice A.

    Được phát hành 2009
    Sách

    Density functional theory a practical introduction
  7. 7

    Density functional study of three dimensional water hexamers in the quantum cluster equilibrium model Bằng Geronimo, Inacrist M.

    Được phát hành 2008
    Luận văn

    Density functional study of three dimensional water hexamers in the quantum cluster equilibrium model
  8. 8

    Electronic structure calculations for solids and molecules theory and computational methods. Bằng Kohanoff, Jorge

    Được phát hành 2006
    Sách

    Electronic structure calculations for solids and molecules theory and computational methods.
  9. 9

    Solvent effects on chemical shielding CSGT-DFT studies using the polarizable continuum model Bằng Manalo, Marlon N.

    Được phát hành 2004
    Full text access requires UP Webmail login
    Electronic Resource

    Solvent effects on chemical shielding CSGT-DFT studies using the polarizable continuum model
  10. 10

    An options-based analysis of emerging market exchange rate expectations Brazil's real plan, 1994-1997 Bằng Campa, Jose M.

    Được phát hành 1999
    Sách

    An options-based analysis of emerging market exchange rate expectations Brazil's real plan, 1994-1997

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