Showing 1 - 10 results of 15 for search '', सवाल का समय: 0.02सेकंड परिणाम को परिष्कृत करें
  1. 1

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

    प्रकाशित 2022
    Abstract
    थीसिस

    Machine Learning-accelerated Density Functional Theory (ML-DFT) screening of bimetallic transition metal surfaces based on single-atom adsorption energy predictions
  2. 2

    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... द्वारा Serraon, Ace Christian F.

    प्रकाशित 2019
    Abstract
    थीसिस

    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
  3. 3

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

    प्रकाशित 2011
    Available for UP System via Springer Link.
    Electronic Resource

    Density functional theory an advanced course
  4. 4

    Statistical complexity applications in electronic structure

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

    Statistical complexity applications in electronic structure
  5. 5

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

    प्रकाशित 2009
    पुस्तक

    Density functional theory a practical introduction
  6. 6

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

    प्रकाशित 2008
    थीसिस

    Density functional study of three dimensional water hexamers in the quantum cluster equilibrium model
  7. 7

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

    प्रकाशित 2006
    पुस्तक

    Electronic structure calculations for solids and molecules theory and computational methods.
  8. 8

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

    प्रकाशित 2004
    Full text access requires UP Webmail login
    Electronic Resource

    Solvent effects on chemical shielding CSGT-DFT studies using the polarizable continuum model
  9. 9

    A brief guide to molecular mechanics and quantum chemical calculations

    प्रकाशित 1998
    पुस्तक

    A brief guide to molecular mechanics and quantum chemical calculations
  10. 10

    Chemical applications of density-functional theory

    प्रकाशित 1996
    Available for University of the Philippines Diliman via ACS Publications. Click here to access
    Also available remotely for University of the Philippines Diliman via ACS Publications. Click here to access thru EZproxy
    Electronic Resource

    Chemical applications of density-functional theory

खोज साधन: