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 *

173 related articles for article (PubMed ID: 28809161)

  • 21. Magnetic anisotropy of FeO and CoO: the influence of gradient corrections on exchange and correlation.
    Schrön A; Bechstedt F
    J Phys Condens Matter; 2013 Dec; 25(48):486002. PubMed ID: 24177337
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Assessing Hubbard-corrected AM05+U and PBEsol+U density functionals for strongly correlated oxides CeO
    Weck PF; Kim E
    Phys Chem Chem Phys; 2016 Sep; 18(38):26816-26826. PubMed ID: 27711607
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method.
    Xu Z; Joshi YV; Raman S; Kitchin JR
    J Chem Phys; 2015 Apr; 142(14):144701. PubMed ID: 25877590
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Ab-initio prediction of the mechanical, magnetic and thermoelectric behaviour of perovskite oxides XGaO
    Hussain MI; Khalil RMA; Hussain F; Rana AM; Imran M
    J Mol Graph Model; 2020 Sep; 99():107621. PubMed ID: 32339899
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Band Gap in Magnetic Insulators from a Charge Transition Level Approach.
    Cipriano LA; Di Liberto G; Tosoni S; Pacchioni G
    J Chem Theory Comput; 2020 Jun; 16(6):3786-3798. PubMed ID: 32427487
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Hybrid functionals and GW approximation in the FLAPW method.
    Friedrich C; Betzinger M; Schlipf M; Blügel S; Schindlmayr A
    J Phys Condens Matter; 2012 Jul; 24(29):293201. PubMed ID: 22773268
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Transition-metal dioxides: a case for the intersite term in Hubbard-model functionals.
    Kulik HJ; Marzari N
    J Chem Phys; 2011 Mar; 134(9):094103. PubMed ID: 21384946
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Status in calculating electronic excited states in transition metal oxides from first principles.
    Bendavid LI; Carter EA
    Top Curr Chem; 2014; 347():47-98. PubMed ID: 24488486
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Electronic structures of 24-valence-electron full Heusler compounds investigated by density functional and GW calculations.
    Lee HW; Hsing CR; Chang CM; Wei CM
    J Phys Condens Matter; 2020 Apr; 32(17):175501. PubMed ID: 31923912
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Accurate potential energy surfaces with a DFT+U(R) approach.
    Kulik HJ; Marzari N
    J Chem Phys; 2011 Nov; 135(19):194105. PubMed ID: 22112064
    [TBL] [Abstract][Full Text] [Related]  

  • 31. When Density Functional Approximations Meet Iron Oxides.
    Meng Y; Liu XW; Huo CF; Guo WP; Cao DB; Peng Q; Dearden A; Gonze X; Yang Y; Wang J; Jiao H; Li Y; Wen XD
    J Chem Theory Comput; 2016 Oct; 12(10):5132-5144. PubMed ID: 27532639
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Calculating spin crossover temperatures by a first-principles LDA+U scheme with parameter U evaluated from GW.
    Zhang Y
    J Chem Phys; 2019 Oct; 151(13):134701. PubMed ID: 31594359
    [TBL] [Abstract][Full Text] [Related]  

  • 33. 4f fine-structure levels as the dominant error in the electronic structures of binary lanthanide oxides.
    Huang B
    J Comput Chem; 2016 Apr; 37(9):825-35. PubMed ID: 26666512
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Thermoelectric Properties of p-Type Cu
    Linnera J; Sansone G; Maschio L; Karttunen AJ
    J Phys Chem C Nanomater Interfaces; 2018 Jul; 122(27):15180-15189. PubMed ID: 30258523
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Computational materials design of defect-induced ferrimagnetic MnO.
    Seike M; Fukushima T; Sato K; Katayama-Yoshida H
    J Phys Condens Matter; 2014 Mar; 26(10):104205. PubMed ID: 24553070
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2 polymorphs.
    Ko KC; Lamiel-García O; Lee JY; Illas F
    Phys Chem Chem Phys; 2016 Apr; 18(17):12357-67. PubMed ID: 27087546
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
    Ramírez-Solís A; Poteau R; Vela A; Daudey JP
    J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Tests of Exchange-Correlation Functional Approximations Against Reliable Experimental Data for Average Bond Energies of 3d Transition Metal Compounds.
    Zhang W; Truhlar DG; Tang M
    J Chem Theory Comput; 2013 Sep; 9(9):3965-77. PubMed ID: 26592392
    [TBL] [Abstract][Full Text] [Related]  

  • 39. The local projection in the density functional theory plus U approach: A critical assessment.
    Wang YC; Chen ZH; Jiang H
    J Chem Phys; 2016 Apr; 144(14):144106. PubMed ID: 27083707
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Calculating and Characterizing the Charge Distributions in Solids.
    Choudhuri I; Truhlar DG
    J Chem Theory Comput; 2020 Sep; 16(9):5884-5892. PubMed ID: 32544328
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.