BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

251 related articles for article (PubMed ID: 27566317)

  • 1. Two-dimensional boron nitride structures functionalization: first principles studies.
    Ponce-Pérez R; Cocoletzi GH; Takeuchi N
    J Mol Model; 2016 Sep; 22(9):226. PubMed ID: 27566317
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Thymine adsorption on two-dimensional boron nitride structures: first-principles studies.
    Castro-Medina J; García-Toral D; López-Fuentes M; Sánchez-Castillo A; Torres-Morales S; de la Garza LM; Cocoletzi GH
    J Mol Model; 2017 Apr; 23(4):109. PubMed ID: 28285442
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Acetylene chain reaction on hydrogenated boron nitride monolayers: a density functional theory study.
    Ponce-Pérez R; Cocoletzi GH; Takeuchi N
    J Mol Model; 2017 Nov; 23(12):359. PubMed ID: 29185121
    [TBL] [Abstract][Full Text] [Related]  

  • 4. On the CO[Formula: see text] adsorption in a boron nitride analog for the recently synthesized biphenylene network: a DFT study.
    Santos EJA; Giozza WF; de Souza Júnior RT; Nepomuceno Cavalcante NJ; Ribeiro Júnior LA; Lopes Lima KA
    J Mol Model; 2023 Sep; 29(10):327. PubMed ID: 37773546
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Proposal of graphene band-gap enhancement via heterostructure of graphene with boron nitride in vertical stacking scheme.
    Sattar A; Moazzam U; Bashir AI; Reza A; Latif H; Usman A; Amjad RJ; Mubshrah A; Nasir A
    Nanotechnology; 2021 Mar; 32(22):. PubMed ID: 33601353
    [TBL] [Abstract][Full Text] [Related]  

  • 6. GGA versus van der Waals density functional results for mixed gold/mercury molecules and pure Au and Hg cluster properties.
    Fernández EM; Balbás LC
    Phys Chem Chem Phys; 2011 Dec; 13(46):20863-70. PubMed ID: 22006277
    [TBL] [Abstract][Full Text] [Related]  

  • 7. van der Waals-Induced Chromatic Shifts in Hydrogen-Bonded Two-Dimensional Porphyrin Arrays on Boron Nitride.
    Korolkov VV; Svatek SA; Summerfield A; Kerfoot J; Yang L; Taniguchi T; Watanabe K; Champness NR; Besley NA; Beton PH
    ACS Nano; 2015 Oct; 9(10):10347-55. PubMed ID: 26348583
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers.
    Kanai Y; Wang X; Selloni A; Car R
    J Chem Phys; 2006 Dec; 125(23):234104. PubMed ID: 17190544
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structural stability and electronic properties of an octagonal allotrope of two dimensional boron nitride.
    Takahashi L; Takahashi K
    Dalton Trans; 2017 Mar; 46(13):4259-4264. PubMed ID: 28280823
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Layer speciation and electronic structure investigation of freestanding hexagonal boron nitride nanosheets.
    Wang J; Wang Z; Cho H; Kim MJ; Sham TK; Sun X
    Nanoscale; 2015 Feb; 7(5):1718-24. PubMed ID: 25510407
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Tuning Band Gap and Work Function Modulations in Monolayer hBN/Cu(111) Heterostructures with Moiré Patterns.
    Zhang Q; Yu J; Ebert P; Zhang C; Pan CR; Chou MY; Shih CK; Zeng C; Yuan S
    ACS Nano; 2018 Sep; 12(9):9355-9362. PubMed ID: 30107116
    [TBL] [Abstract][Full Text] [Related]  

  • 12. First principles studies of the graphene-phenol interactions.
    Hernández JM; Anota EC; de la Cruz MT; Melchor MG; Cocoletzi GH
    J Mol Model; 2012 Aug; 18(8):3857-66. PubMed ID: 22415370
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular adsorption at Pt(111). How accurate are DFT functionals?
    Gautier S; Steinmann SN; Michel C; Fleurat-Lessard P; Sautet P
    Phys Chem Chem Phys; 2015 Nov; 17(43):28921-30. PubMed ID: 26455444
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structural and electronic properties of ZrX2)and HfX2 (X=S and Se) from first principles calculations.
    Jiang H
    J Chem Phys; 2011 May; 134(20):204705. PubMed ID: 21639465
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. First principles study of graphene on metals with the SCAN and SCAN+rVV10 functionals.
    Shepard S; Smeu M
    J Chem Phys; 2019 Apr; 150(15):154702. PubMed ID: 31005078
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Consistent structures and interactions by density functional theory with small atomic orbital basis sets.
    Grimme S; Brandenburg JG; Bannwarth C; Hansen A
    J Chem Phys; 2015 Aug; 143(5):054107. PubMed ID: 26254642
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The structural and electronic properties of (001) surface of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with first-principles calculations.
    Qin H; Zheng Q; Zhou YX; Li F; Li HD; Liu QJ; Liu ZT
    J Mol Model; 2023 Dec; 30(1):7. PubMed ID: 38091173
    [TBL] [Abstract][Full Text] [Related]  

  • 19. van der Waals density functionals applied to corundum-type sesquioxides: bulk properties and adsorption of CH3 and C6H6 on (0001) surfaces.
    Dabaghmanesh S; Neyts EC; Partoens B
    Phys Chem Chem Phys; 2016 Aug; 18(33):23139-46. PubMed ID: 27494541
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Adsorption of light mercaptans over metal (Co, Cu, Fe, Ni) doped hexagonal boron nitride nanosheets: a first-principles study.
    Moghadaszadeh Z; Toosi MR; Zardoost MR
    J Mol Model; 2019 Apr; 25(5):138. PubMed ID: 31037496
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.