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 *

195 related articles for article (PubMed ID: 25906053)

  • 1. Predicting elastic properties of β-HMX from first-principles calculations.
    Peng Q; Rahul ; Wang G; Liu GR; Grimme S; De S
    J Phys Chem B; 2015 May; 119(18):5896-903. PubMed ID: 25906053
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structures, mechanical properties, equations of state, and electronic properties of β-HMX under hydrostatic pressures: a DFT-D2 study.
    Peng Q; Rahul ; Wang G; Liu GR; De S
    Phys Chem Chem Phys; 2014 Oct; 16(37):19972-83. PubMed ID: 25159551
    [TBL] [Abstract][Full Text] [Related]  

  • 3. How critical are the van der Waals interactions in polymer crystals?
    Liu CS; Pilania G; Wang C; Ramprasad R
    J Phys Chem A; 2012 Sep; 116(37):9347-52. PubMed ID: 22937808
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Assessing Effects of van der Waals Corrections on Elasticity of Mg
    Peng Q; Ma X; Yang X; Zhao S; Yuan X; Chen X
    Materials (Basel); 2023 Sep; 16(19):. PubMed ID: 37834619
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Study of the Elastic Properties of the Energetic Molecular Crystals Using Density Functionals with van der Waals Corrections.
    Fedorov IA; Nguyen CV; Prosekov AY
    ACS Omega; 2021 Jan; 6(1):642-648. PubMed ID: 33458516
    [TBL] [Abstract][Full Text] [Related]  

  • 6. van der Waals exchange-correlation functionals over bulk and surface properties of transition metals.
    Avelar J; Bruix A; Garza J; Vargas R
    J Phys Condens Matter; 2019 Aug; 31(31):315501. PubMed ID: 30978711
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Assessment of van der Waals inclusive density functional theory methods for adsorption and selective dehydrogenation of formic acid on Pt(111) surface.
    Yuan D; Liao H; Hu W
    Phys Chem Chem Phys; 2019 Oct; 21(37):21049-21056. PubMed ID: 31528914
    [TBL] [Abstract][Full Text] [Related]  

  • 9. CO2 capture by metal-organic frameworks with van der Waals density functionals.
    Poloni R; Smit B; Neaton JB
    J Phys Chem A; 2012 May; 116(20):4957-64. PubMed ID: 22519821
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Comparative study of van der Waals corrections to the bulk properties of graphite.
    Rêgo CR; Oliveira LN; Tereshchuk P; Da Silva JL
    J Phys Condens Matter; 2015 Oct; 27(41):415502. PubMed ID: 26417925
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Density-functional description of polymer crystals: A comparative study of recent van der Waals functionals.
    Pham TH; Ramprasad R; Nguyen HV
    J Chem Phys; 2016 Jun; 144(21):214905. PubMed ID: 27276968
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. A density-functional theory-based neural network potential for water clusters including van der Waals corrections.
    Morawietz T; Behler J
    J Phys Chem A; 2013 Aug; 117(32):7356-66. PubMed ID: 23557541
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density Functionals.
    Carter DJ; Rohl AL
    J Chem Theory Comput; 2014 Aug; 10(8):3423-37. PubMed ID: 26588311
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Vibrational and thermodynamic properties of β-HMX: a first-principles investigation.
    Wu Z; Kalia RK; Nakano A; Vashishta P
    J Chem Phys; 2011 May; 134(20):204509. PubMed ID: 21639458
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Structural, elastic, and vibrational properties of layered titanium dichalcogenides: a van der Waals density functional study.
    Ding H; Xu B
    J Chem Phys; 2012 Dec; 137(22):224509. PubMed ID: 23249019
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface.
    Bartaquim EO; Bezerra RC; Bittencourt AFB; Da Silva JLF
    Phys Chem Chem Phys; 2022 Aug; 24(34):20294-20302. PubMed ID: 35979742
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Assessing cathode property prediction
    Long OY; Sai Gautam G; Carter EA
    Phys Chem Chem Phys; 2021 Nov; 23(43):24726-24737. PubMed ID: 34709240
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Predicting vapor liquid equilibria using density functional theory: A case study of argon.
    Goel H; Ling S; Ellis BN; Taconi A; Slater B; Rai N
    J Chem Phys; 2018 Jun; 148(22):224501. PubMed ID: 29907054
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.