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 *

280 related articles for article (PubMed ID: 23020317)

  • 1. Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory.
    Klimeš J; Michaelides A
    J Chem Phys; 2012 Sep; 137(12):120901. PubMed ID: 23020317
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Improved description of soft layered materials with van der Waals density functional theory.
    Graziano G; Klimeš J; Fernandez-Alonso F; Michaelides A
    J Phys Condens Matter; 2012 Oct; 24(42):424216. PubMed ID: 23032994
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Minimizing density functional failures for non-covalent interactions beyond van der Waals complexes.
    Corminboeuf C
    Acc Chem Res; 2014 Nov; 47(11):3217-24. PubMed ID: 24655016
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. 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]  

  • 7. Dispersion-corrected energy decomposition analysis for intermolecular interactions based on the BLW and dDXDM methods.
    Steinmann SN; Corminboeuf C; Wu W; Mo Y
    J Phys Chem A; 2011 Jun; 115(21):5467-77. PubMed ID: 21557586
    [TBL] [Abstract][Full Text] [Related]  

  • 8. van der Waals forces in density functional theory: a review of the vdW-DF method.
    Berland K; Cooper VR; Lee K; Schröder E; Thonhauser T; Hyldgaard P; Lundqvist BI
    Rep Prog Phys; 2015 Jun; 78(6):066501. PubMed ID: 25978530
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Error estimates for (semi-)empirical dispersion terms and large biomacromolecules.
    Korth M
    Org Biomol Chem; 2013 Oct; 11(38):6515-9. PubMed ID: 23963227
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Are we van der Waals ready?
    Björkman T; Gulans A; Krasheninnikov AV; Nieminen RM
    J Phys Condens Matter; 2012 Oct; 24(42):424218. PubMed ID: 23032078
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Rationale for switching to nonlocal functionals in density functional theory.
    Lazić P; Atodiresei N; Caciuc V; Brako R; Gumhalter B; Blügel S
    J Phys Condens Matter; 2012 Oct; 24(42):424215. PubMed ID: 23032957
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Many-body van der Waals interactions in molecules and condensed matter.
    DiStasio RA; Gobre VV; Tkatchenko A
    J Phys Condens Matter; 2014 May; 26(21):213202. PubMed ID: 24805055
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. 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]  

  • 16. Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations.
    Oliveira MJ; Botti S; Marques MA
    Phys Chem Chem Phys; 2011 Sep; 13(33):15055-61. PubMed ID: 21785779
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The role of van der Waals interactions in the adsorption of noble gases on metal surfaces.
    Chen DL; Al-Saidi WA; Johnson JK
    J Phys Condens Matter; 2012 Oct; 24(42):424211. PubMed ID: 23032730
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A van der Waals density functional study of ice Ih.
    Hamada I
    J Chem Phys; 2010 Dec; 133(21):214503. PubMed ID: 21142304
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Organic/inorganic hybrid materials: challenges for ab initio methodology.
    Draxl C; Nabok D; Hannewald K
    Acc Chem Res; 2014 Nov; 47(11):3225-32. PubMed ID: 25171272
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Theory and practice of modeling van der Waals interactions in electronic-structure calculations.
    Stöhr M; Van Voorhis T; Tkatchenko A
    Chem Soc Rev; 2019 Jul; 48(15):4118-4154. PubMed ID: 31190037
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.