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Journal Abstract Search

425 related items for PubMed ID: 27494541

  • 1. 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 17; 18(33):23139-46. PubMed ID: 27494541
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  • 2. CO2 adsorption on the copper surfaces: van der Waals density functional and TPD studies.
    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 07; 147(9):094702. PubMed ID: 28886627
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  • 5. An assessment of density functionals for predicting CO2 adsorption in diamine-functionalized metal-organic frameworks.
    Lee JH, Hyldgaard P, Neaton JB.
    J Chem Phys; 2022 Apr 21; 156(15):154113. PubMed ID: 35459296
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  • 9. Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks.
    Vlaisavljevich B, Huck J, Hulvey Z, Lee K, Mason JA, Neaton JB, Long JR, Brown CM, Alfè D, Michaelides A, Smit B.
    J Phys Chem A; 2017 Jun 01; 121(21):4139-4151. PubMed ID: 28436661
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  • 11. 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 28; 140(8):084705. PubMed ID: 24588189
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  • 14. Physisorption of nucleobases on graphene: a comparative van der Waals study.
    Le D, Kara A, Schröder E, Hyldgaard P, Rahman TS.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424210. PubMed ID: 23032709
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  • 15. First principles study of graphene on metals with the SCAN and SCAN+rVV10 functionals.
    Shepard S, Smeu M.
    J Chem Phys; 2019 Apr 21; 150(15):154702. PubMed ID: 31005078
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  • 17. CO2 capture by metal-organic frameworks with van der Waals density functionals.
    Poloni R, Smit B, Neaton JB.
    J Phys Chem A; 2012 May 24; 116(20):4957-64. PubMed ID: 22519821
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