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 *

161 related articles for article (PubMed ID: 23432276)

  • 1. Nuclear quantum effects and nonlocal exchange-correlation functionals applied to liquid hydrogen at high pressure.
    Morales MA; McMahon JM; Pierleoni C; Ceperley DM
    Phys Rev Lett; 2013 Feb; 110(6):065702. PubMed ID: 23432276
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions.
    Miceli G; de Gironcoli S; Pasquarello A
    J Chem Phys; 2015 Jan; 142(3):034501. PubMed ID: 25612714
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures.
    Li XZ; Walker B; Probert MI; Pickard CJ; Needs RJ; Michaelides A
    J Phys Condens Matter; 2013 Feb; 25(8):085402. PubMed ID: 23360786
    [TBL] [Abstract][Full Text] [Related]  

  • 4. On the performance of local, semilocal, and nonlocal exchange-correlation functionals on transition metal molecules.
    Ramírez-Solís A
    J Chem Phys; 2007 Jun; 126(22):224105. PubMed ID: 17581042
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Dispersion interactions and vibrational effects in ice as a function of pressure: a first principles study.
    Murray ÉD; Galli G
    Phys Rev Lett; 2012 Mar; 108(10):105502. PubMed ID: 22463422
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Molecular to atomic phase transition in hydrogen under high pressure.
    McMinis J; Clay RC; Lee D; Morales MA
    Phys Rev Lett; 2015 Mar; 114(10):105305. PubMed ID: 25815944
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water.
    DiStasio RA; Santra B; Li Z; Wu X; Car R
    J Chem Phys; 2014 Aug; 141(8):084502. PubMed ID: 25173016
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Thermophysical properties of liquid carbon dioxide under shock compressions: quantum molecular dynamic simulations.
    Wang C; Zhang P
    J Chem Phys; 2010 Oct; 133(13):134503. PubMed ID: 20942542
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quantum Monte Carlo Benchmark of Exchange-Correlation Functionals for Bulk Water.
    Morales MA; Gergely JR; McMinis J; McMahon JM; Kim J; Ceperley DM
    J Chem Theory Comput; 2014 Jun; 10(6):2355-62. PubMed ID: 26580755
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Dynamical and transport properties of liquid gallium at high pressures.
    Sheppard D; Mazevet S; Cherne FJ; Albers RC; Kadau K; Germann TC; Kress JD; Collins LA
    Phys Rev E Stat Nonlin Soft Matter Phys; 2015 Jun; 91(6):063101. PubMed ID: 26172802
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Frozen density embedding with hybrid functionals.
    Laricchia S; Fabiano E; Della Sala F
    J Chem Phys; 2010 Oct; 133(16):164111. PubMed ID: 21033779
    [TBL] [Abstract][Full Text] [Related]  

  • 13. First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals.
    Zhang C; Donadio D; Gygi F; Galli G
    J Chem Theory Comput; 2011 May; 7(5):1443-9. PubMed ID: 26610134
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Molecular dynamics simulation of liquid water: hybrid density functionals.
    Todorova T; Seitsonen AP; Hutter J; Kuo IF; Mundy CJ
    J Phys Chem B; 2006 Mar; 110(8):3685-91. PubMed ID: 16494424
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Towards an accurate description of the electronic properties of the biphenylthiol/gold interface: the role of exact exchange.
    Fabiano E; Piacenza M; D'Agostino S; Della Sala F
    J Chem Phys; 2009 Dec; 131(23):234101. PubMed ID: 20025308
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Nuclear quantum effects on the high pressure melting of dense lithium.
    Feng Y; Chen J; Alfè D; Li XZ; Wang E
    J Chem Phys; 2015 Feb; 142(6):064506. PubMed ID: 25681922
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Influence of the van der Waals interaction in the dissociation dynamics of N2 on W(110) from first principles.
    Martin-Gondre L; Juaristi JI; Blanco-Rey M; Díez Muiño R; Alducin M
    J Chem Phys; 2015 Feb; 142(7):074704. PubMed ID: 25702021
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Observation of nuclear quantum effects and hydrogen bond symmetrisation in high pressure ice.
    Meier T; Petitgirard S; Khandarkhaeva S; Dubrovinsky L
    Nat Commun; 2018 Jul; 9(1):2766. PubMed ID: 30018359
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature.
    Litman Y; Donadio D; Ceriotti M; Rossi M
    J Chem Phys; 2018 Mar; 148(10):102320. PubMed ID: 29544260
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Noncovalent Quantum Machine Learning Corrections to Density Functionals.
    Mezei PD; von Lilienfeld OA
    J Chem Theory Comput; 2020 Apr; 16(4):2647-2653. PubMed ID: 32130000
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.