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 *

154 related articles for article (PubMed ID: 22463422)

  • 21. Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions.
    Shimojo F; Wu Z; Nakano A; Kalia RK; Vashishta P
    J Chem Phys; 2010 Mar; 132(9):094106. PubMed ID: 20210388
    [TBL] [Abstract][Full Text] [Related]  

  • 22. The impact of Hubbard and van der Waals corrections on the DFT calculation of epsilon-zeta transition pressure in solid oxygen.
    Anh LT
    Phys Chem Chem Phys; 2023 Sep; 25(37):25654-25658. PubMed ID: 37721211
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set.
    Vydrov OA; Wu Q; Van Voorhis T
    J Chem Phys; 2008 Jul; 129(1):014106. PubMed ID: 18624469
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Vapor Liquid Equilibria of Hydrofluorocarbons Using Dispersion-Corrected and Nonlocal Density Functionals.
    Goel H; Butler CL; Windom ZW; Rai N
    J Chem Theory Comput; 2016 Jul; 12(7):3295-304. PubMed ID: 27295451
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2 molecules on Cu(111), (100) and (110) surfaces.
    Lee K; Berland K; Yoon M; Andersson S; Schröder E; Hyldgaard P; Lundqvist BI
    J Phys Condens Matter; 2012 Oct; 24(42):424213. PubMed ID: 23032859
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Nature of the Volume Isotope Effect in Ice.
    Umemoto K; Sugimura E; de Gironcoli S; Nakajima Y; Hirose K; Ohishi Y; Wentzcovitch RM
    Phys Rev Lett; 2015 Oct; 115(17):173005. PubMed ID: 26551113
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Nonlocal van der Waals functionals: the case of rare-gas dimers and solids.
    Tran F; Hutter J
    J Chem Phys; 2013 May; 138(20):204103. PubMed ID: 23742450
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Brillouin scattering of H2O ice to megabar pressures.
    Ahart M; Somayazulu M; Gramsch SA; Boehler R; Mao HK; Hemley RJ
    J Chem Phys; 2011 Mar; 134(12):124517. PubMed ID: 21456686
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Optical study of H2O ice to 120 GPa: dielectric function, molecular polarizability, and equation of state.
    Zha CS; Hemley RJ; Gramsch SA; Mao HK; Bassett WA
    J Chem Phys; 2007 Feb; 126(7):074506. PubMed ID: 17328619
    [TBL] [Abstract][Full Text] [Related]  

  • 30. 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]  

  • 31. Hydrogen-bond topology and the ice VII/VIII and ice Ih/XI proton-ordering phase transitions.
    Singer SJ; Kuo JL; Hirsch TK; Knight C; Ojamäe L; Klein ML
    Phys Rev Lett; 2005 Apr; 94(13):135701. PubMed ID: 15904003
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Crystal structure prediction and hydrogen-bond symmetrization of solid hydrazine under high pressure: a first-principles study.
    Zhang HD; Zheng SK; Jin XL; Jiang SQ; He Z; Liu BB; Cui T
    Acta Crystallogr C Struct Chem; 2014 Feb; 70(Pt 2):112-7. PubMed ID: 24508955
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers.
    Kelkkanen AK; Lundqvist BI; Nørskov JK
    J Chem Phys; 2009 Jul; 131(4):046102. PubMed ID: 19655929
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Density and Compressibility of Liquid Water and Ice from First-Principles Simulations with Hybrid Functionals.
    Gaiduk AP; Gygi F; Galli G
    J Phys Chem Lett; 2015 Aug; 6(15):2902-8. PubMed ID: 26267178
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Phase Transition of Ice at High Pressures and Low Temperatures.
    Xu J; Liu J; Liu J; Hu W; He X; Li J
    Molecules; 2020 Jan; 25(3):. PubMed ID: 31979295
    [TBL] [Abstract][Full Text] [Related]  

  • 36. First principles molecular dynamics study of filled ice hydrogen hydrate.
    Zhang J; Kuo JL; Iitaka T
    J Chem Phys; 2012 Aug; 137(8):084505. PubMed ID: 22938248
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Pressure dependent stability and structure of carbon dioxide--a density functional study including long-range corrections.
    Gohr S; Grimme S; Söhnel T; Paulus B; Schwerdtfeger P
    J Chem Phys; 2013 Nov; 139(17):174501. PubMed ID: 24206310
    [TBL] [Abstract][Full Text] [Related]  

  • 38. First principles calculation of the elasticity of ice VIII and X.
    Tsuchiya J; Tsuchiya T
    J Chem Phys; 2017 Jan; 146(1):014501. PubMed ID: 28063424
    [TBL] [Abstract][Full Text] [Related]  

  • 39. The random phase approximation applied to ice.
    Macher M; Klimeš J; Franchini C; Kresse G
    J Chem Phys; 2014 Feb; 140(8):084502. PubMed ID: 24588180
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Van der Waals interactions in density functional theory using Wannier functions.
    Silvestrelli PL
    J Phys Chem A; 2009 Apr; 113(17):5224-34. PubMed ID: 19344144
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.