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 *

133 related articles for article (PubMed ID: 25540604)

  • 21. Comparing van der Waals DFT methods for water on NaCl(001) and MgO(001).
    Kebede GG; Spångberg D; Mitev PD; Broqvist P; Hermansson K
    J Chem Phys; 2017 Feb; 146(6):064703. PubMed ID: 28201901
    [TBL] [Abstract][Full Text] [Related]  

  • 22. 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]  

  • 23. Perspectives on van der Waals Density Functionals: The Case of TiS
    Krogel JT; Yuk SF; Kent PRC; Cooper VR
    J Phys Chem A; 2020 Nov; 124(47):9867-9876. PubMed ID: 33190498
    [TBL] [Abstract][Full Text] [Related]  

  • 24. CO
    Muttaqien F; Hamamoto Y; Hamada I; Inagaki K; Shiozawa Y; Mukai K; Koitaya T; Yoshimoto S; Yoshinobu J; Morikawa Y
    J Chem Phys; 2017 Sep; 147(9):094702. PubMed ID: 28886627
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. Accurate and efficient calculation of van der Waals interactions within density functional theory by local atomic potential approach.
    Sun YY; Kim YH; Lee K; Zhang SB
    J Chem Phys; 2008 Oct; 129(15):154102. PubMed ID: 19045171
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Methane dissociation on Pt(111): Searching for a specific reaction parameter density functional.
    Nattino F; Migliorini D; Bonfanti M; Kroes GJ
    J Chem Phys; 2016 Jan; 144(4):044702. PubMed ID: 26827223
    [TBL] [Abstract][Full Text] [Related]  

  • 28. 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]  

  • 29. Ab initio and semi-empirical van der Waals study of graphene-boron nitride interaction from a molecular point of view.
    Caciuc V; Atodiresei N; Callsen M; Lazić P; Blügel S
    J Phys Condens Matter; 2012 Oct; 24(42):424214. PubMed ID: 23032913
    [TBL] [Abstract][Full Text] [Related]  

  • 30. 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]  

  • 31. Reinvestigating oxygen adsorption on Ag(111) by using strongly constrained and appropriately normed semi-local density functional with the revised Vydrov van Voorhis van der Waals force correction.
    Hinsch JJ; Liu J; Wang Y
    J Chem Phys; 2021 Dec; 155(23):234704. PubMed ID: 34937376
    [TBL] [Abstract][Full Text] [Related]  

  • 32. 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]  

  • 33. Adsorption of CO2, N2, and CH4 in Cs-exchanged chabazite: a combination of van der Waals density functional theory calculations and experiment study.
    Shang J; Li G; Singh R; Xiao P; Danaci D; Liu JZ; Webley PA
    J Chem Phys; 2014 Feb; 140(8):084705. PubMed ID: 24588189
    [TBL] [Abstract][Full Text] [Related]  

  • 34. 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]  

  • 35. Toward Accurate Adsorption Energetics on Clay Surfaces.
    Zen A; Roch LM; Cox SJ; Hu XL; Sorella S; Alfè D; Michaelides A
    J Phys Chem C Nanomater Interfaces; 2016 Nov; 120(46):26402-26413. PubMed ID: 27917256
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Role of the dispersion force in modeling the interfacial properties of molecule-metal interfaces: adsorption of thiophene on copper surfaces.
    Hu ZX; Lan H; Ji W
    Sci Rep; 2014 May; 4():5036. PubMed ID: 24849493
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Empirical corrections to density functional theory highlight the importance of nonbonded intramolecular interactions in alkanes.
    Wodrich MD; Jana DF; Schleyer Pv; Corminboeuf C
    J Phys Chem A; 2008 Nov; 112(45):11495-500. PubMed ID: 18925729
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Improved proton-transfer barriers with van der Waals density functionals: Role of repulsive non-local correlation.
    Seyedraoufi S; Berland K
    J Chem Phys; 2022 Jun; 156(24):244106. PubMed ID: 35778093
    [TBL] [Abstract][Full Text] [Related]  

  • 39.
    Daouli A; Rey J; Lahrar EH; Valtchev V; Badawi M; Guillet-Nicolas R
    Langmuir; 2023 Nov; 39(45):15962-15973. PubMed ID: 37929920
    [TBL] [Abstract][Full Text] [Related]  

  • 40. The role of van der Waals and exchange interactions in high-pressure solid hydrogen.
    Azadi S; Ackland GJ
    Phys Chem Chem Phys; 2017 Aug; 19(32):21829-21839. PubMed ID: 28783189
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.