These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

246 related articles for article (PubMed ID: 25330940)

  • 1. A comprehensive DFT investigation of bulk and low-index surfaces of ZrO2 polymorphs.
    Ricca C; Ringuedé A; Cassir M; Adamo C; Labat F
    J Comput Chem; 2015 Jan; 36(1):9-21. PubMed ID: 25330940
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structural and Electronic Properties of Selected Rutile and Anatase TiO2 Surfaces:  An ab Initio Investigation.
    Labat F; Baranek P; Adamo C
    J Chem Theory Comput; 2008 Feb; 4(2):341-52. PubMed ID: 26620667
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: performances of different exchange-correlation functionals.
    Labat F; Baranek P; Domain C; Minot C; Adamo C
    J Chem Phys; 2007 Apr; 126(15):154703. PubMed ID: 17461655
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A Detailed Comparative Analysis of the Structural Stability and Electron-Phonon Properties of ZrO
    Nematov DD; Burhonzoda AS; Kholmurodov KT; Lyubchyk AI; Lyubchyk SI
    Nanomaterials (Basel); 2023 Sep; 13(19):. PubMed ID: 37836297
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Ion beam-induced amorphous-to-tetragonal phase transformation and grain growth of nanocrystalline zirconia.
    Lian J; Zhang J; Namavar F; Zhang Y; Lu F; Haider H; Garvin K; Weber WJ; Ewing RC
    Nanotechnology; 2009 Jun; 20(24):245303. PubMed ID: 19468161
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A DFT-D study of structural and energetic properties of TiO2 modifications.
    Moellmann J; Ehrlich S; Tonner R; Grimme S
    J Phys Condens Matter; 2012 Oct; 24(42):424206. PubMed ID: 23032480
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Implementation of empirical dispersion corrections to density functional theory for periodic systems.
    Reckien W; Janetzko F; Peintinger MF; Bredow T
    J Comput Chem; 2012 Sep; 33(25):2023-31. PubMed ID: 22684689
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
    Göltl F; Grüneis A; Bučko T; Hafner J
    J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
    [TBL] [Abstract][Full Text] [Related]  

  • 10. DFT and local-MP2 periodic study of the structure and stability of two proton-ordered polymorphs of ice.
    Erba A; Casassa S; Maschio L; Pisani C
    J Phys Chem B; 2009 Feb; 113(8):2347-54. PubMed ID: 19199689
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio investigation of structure and cohesive energy of crystalline urea.
    Civalleri B; Doll K; Zicovich-Wilson CM
    J Phys Chem B; 2007 Jan; 111(1):26-33. PubMed ID: 17201425
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Phase stabilization in nitrogen-implanted nanocrystalline cubic zirconia.
    Wang G; Luo G; Soo YL; Sabirianov RF; Lin HJ; Mei WN; Namavar F; Cheung CL
    Phys Chem Chem Phys; 2011 Nov; 13(43):19517-25. PubMed ID: 21971264
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Reactivity of metal oxide clusters with hydrogen peroxide and water--a DFT study evaluating the performance of different exchange-correlation functionals.
    Lousada CM; Johansson AJ; Brinck T; Jonsson M
    Phys Chem Chem Phys; 2013 Apr; 15(15):5539-52. PubMed ID: 23460024
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Surfaces of complex intermetallic compounds: insights from density functional calculations.
    Hafner J; Krajčí M
    Acc Chem Res; 2014 Nov; 47(11):3378-84. PubMed ID: 24741993
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Appropriate description of intermolecular interactions in the methane hydrates: an assessment of DFT methods.
    Liu Y; Zhao J; Li F; Chen Z
    J Comput Chem; 2013 Jan; 34(2):121-31. PubMed ID: 22949382
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Amorphization of nanocrystalline monoclinic ZrO2 by swift heavy ion irradiation.
    Lu F; Wang J; Lang M; Toulemonde M; Namavar F; Trautmann C; Zhang J; Ewing RC; Lian J
    Phys Chem Chem Phys; 2012 Sep; 14(35):12295-300. PubMed ID: 22858872
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
    Ramírez-Solís A; Poteau R; Vela A; Daudey JP
    J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab-initio simulations of materials using VASP: Density-functional theory and beyond.
    Hafner J
    J Comput Chem; 2008 Oct; 29(13):2044-78. PubMed ID: 18623101
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Embedded correlated wavefunction schemes: theory and applications.
    Libisch F; Huang C; Carter EA
    Acc Chem Res; 2014 Sep; 47(9):2768-75. PubMed ID: 24873211
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Tuning the charge state of Ag and Au atoms and clusters deposited on oxide surfaces by doping: a DFT study of the adsorption properties of nitrogen- and niobium-doped TiO2 and ZrO2.
    Schlexer P; Ruiz Puigdollers A; Pacchioni G
    Phys Chem Chem Phys; 2015 Sep; 17(34):22342-60. PubMed ID: 26248205
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.