Showing 1 - 10 results of 10 for search '"Amsterdam Density Functional"', query time: 2.49s Refine Results
  1. 1
    Parameterization of COSMO-RS model for ionic liquids
    by Jingli Han, Chengna Dai, Gangqiang Yu, Zhigang Lei
    Published 2018-07-01
    “...) within the Amsterdam density functional (ADF) framework have been re-optimized to fit for the systems...”
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    Article
  2. 2
    Implementation of the SM12 Solvation Model into ADF and ADF-BAND
    by Peeples, Craig
    Published 2016
    “... Orbital code, the Amsterdam Density Functional (ADF) package in particular. The model performs as well...”
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  3. 3
    DFT and TD-DFT Study of Structure and Properties of Semiconductive Hybrid Networks Formed by Bismuth Halides and Different Polycyclic Aromatic Ligands
    by Y. Belhocine, M. Bencharif
    Published 2011-01-01
    “... in Amsterdam Density functional (ADF) program package, does not have essential influence on the geometry...”
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    Article
  4. 4
    Density functional calculation of simple molecules
    by Olaoye, Olufemi Opeyemi.
    Published 2012
    “... sagteware pakkette; Amsterdam Density Functional (ADF) en Gaussian, wat op twee verskillende DFT metodes...”
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  5. 5
    A DFT study of intrinsic point defects in monolayer MoSe2
    by Alina Shafqat, Tahir Iqbal, Abdul Majid
    Published 2017-10-01
    “...); analyzed using the Amsterdam Density Functional (ADF) BAND package. Pristine m-MoSe2 is an intrinsic...”
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    Article
  6. 6
    Donor Acceptor Bond in [NPCl2]3—MCl3 Adducts, a DFT Study and Comparison of Results with Experimental X-Ray Data
    “... Density Functional, ADF, package). Some aspects of adduct formation like considering the difference...”
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    Article
  7. 7
    Theoretical study of ht-[(ph)Pt(μ-PN)(μ-NP)PtMe2](CF3CO2) structure as a heavy dimer complex and comparison of results with experimental X-ray data
    by A. Akbari, I. Sheikhshoaie, S.Y. Ebrahimipour
    Published 2016-09-01
    “...DFT calculations performed using Amsterdam Density Functional (ADF 2009.01b) program to estimate...”
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    Article
  8. 8
    Effect Of Non-metal Elements (C, N, S) As Anionic Dopants On Electronic Structure Of Tio2-Anatase By Density-Functional Theory Approach
    by Hari Sutrisno
    Published 2016-05-01
    “... as implemented within Amsterdam Density Functional (ADF)-BAND version 2014.10. The ab-initio calculation...”
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    Article
  9. 9
    A DFT study of the effects of Sc doping on electronic and optical properties of CdS nanoparticles
    “... for Cd and DZ2P for sulphur and Sc were performed by Amsterdam Density Functional (ADF). The results show...”
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    Article
  10. 10
    Ferrocene Orientation Determined Intramolecular Interactions Using Energy Decomposition Analysis
    by Feng Wang, Shawkat Islam, Vladislav Vasilyev
    Published 2015-11-01
    “.... One is the extended transition state (ETS) based on the Amsterdam Density Functional (ADF) package...”
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    Article
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