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 *

147 related articles for article (PubMed ID: 30927898)

  • 1. Importance of van der Waals effects on the hydration of metal ions from the Hofmeister series.
    Zhou L; Xu J; Xu L; Wu X
    J Chem Phys; 2019 Mar; 150(12):124505. PubMed ID: 30927898
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Electronic properties of molecules and surfaces with a self-consistent interatomic van der Waals density functional.
    Ferri N; DiStasio RA; Ambrosetti A; Car R; Tkatchenko A
    Phys Rev Lett; 2015 May; 114(17):176802. PubMed ID: 25978248
    [TBL] [Abstract][Full Text] [Related]  

  • 4. How van der Waals interactions determine the unique properties of water.
    Morawietz T; Singraber A; Dellago C; Behler J
    Proc Natl Acad Sci U S A; 2016 Jul; 113(30):8368-73. PubMed ID: 27402761
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble.
    Zheng L; Chen M; Sun Z; Ko HY; Santra B; Dhuvad P; Wu X
    J Chem Phys; 2018 Apr; 148(16):164505. PubMed ID: 29716217
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions.
    Claudot J; Kim WJ; Dixit A; Kim H; Gould T; Rocca D; Lebègue S
    J Chem Phys; 2018 Feb; 148(6):064112. PubMed ID: 29448790
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Hofmeister anionic effects on hydration electric fields around water and peptide.
    Kim H; Lee H; Lee G; Kim H; Cho M
    J Chem Phys; 2012 Mar; 136(12):124501. PubMed ID: 22462868
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio van der waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like.
    Møgelhøj A; Kelkkanen AK; Wikfeldt KT; Schiøtz J; Mortensen JJ; Pettersson LG; Lundqvist BI; Jacobsen KW; Nilsson A; Nørskov JK
    J Phys Chem B; 2011 Dec; 115(48):14149-60. PubMed ID: 21806000
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics-Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections.
    Lin IC; Seitsonen AP; Tavernelli I; Rothlisberger U
    J Chem Theory Comput; 2012 Oct; 8(10):3902-10. PubMed ID: 26593030
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Hofmeister effects: interplay of hydration, nonelectrostatic potentials, and ion size.
    Parsons DF; Boström M; Lo Nostro P; Ninham BW
    Phys Chem Chem Phys; 2011 Jul; 13(27):12352-67. PubMed ID: 21670834
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accurate and efficient method for many-body van der Waals interactions.
    Tkatchenko A; DiStasio RA; Car R; Scheffler M
    Phys Rev Lett; 2012 Jun; 108(23):236402. PubMed ID: 23003978
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Role of van der Waals corrections in first principles simulations of alkali metal ions in aqueous solutions.
    Ikeda T; Boero M
    J Chem Phys; 2015 Nov; 143(19):194510. PubMed ID: 26590545
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Density functional theory based molecular dynamics study of solution composition effects on the solvation shell of metal ions.
    Wang X; Toroz D; Kim S; Clegg SL; Park GS; Di Tommaso D
    Phys Chem Chem Phys; 2020 Jul; 22(28):16301-16313. PubMed ID: 32647838
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Effect of the van der Waals interaction on the electron energy-loss near edge structure theoretical calculation.
    Katsukura H; Miyata T; Tomita K; Mizoguchi T
    Ultramicroscopy; 2017 Jul; 178():88-95. PubMed ID: 27477916
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study.
    Ambrosio F; Miceli G; Pasquarello A
    J Phys Chem B; 2016 Aug; 120(30):7456-70. PubMed ID: 27404717
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations. II. NonLocal vs Empirical van der Waals Corrections.
    Dodia M; Ohto T; Imoto S; Nagata Y
    J Chem Theory Comput; 2019 Jun; 15(6):3836-3843. PubMed ID: 31074989
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Density, structure, and dynamics of water: the effect of van der Waals interactions.
    Wang J; Román-Pérez G; Soler JM; Artacho E; Fernández-Serra MV
    J Chem Phys; 2011 Jan; 134(2):024516. PubMed ID: 21241129
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.
    Appalakondaiah S; Vaitheeswaran G; Lebègue S
    J Phys Chem A; 2015 Jun; 119(24):6574-81. PubMed ID: 25978775
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Toward a Reliable Description of the Lattice Vibrations in Organic Molecular Crystals: The Impact of van der Waals Interactions.
    Bedoya-Martínez N; Giunchi A; Salzillo T; Venuti E; Della Valle RG; Zojer E
    J Chem Theory Comput; 2018 Aug; 14(8):4380-4390. PubMed ID: 30021070
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.