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: 34875174)

  • 41. Intriguing Optoelectronic Properties of Metal Halide Perovskites.
    Manser JS; Christians JA; Kamat PV
    Chem Rev; 2016 Nov; 116(21):12956-13008. PubMed ID: 27327168
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Density and Compressibility of Liquid Water and Ice from First-Principles Simulations with Hybrid Functionals.
    Gaiduk AP; Gygi F; Galli G
    J Phys Chem Lett; 2015 Aug; 6(15):2902-8. PubMed ID: 26267178
    [TBL] [Abstract][Full Text] [Related]  

  • 43. The Cs
    Varadwaj PR; Marques HM
    Front Chem; 2020; 8():796. PubMed ID: 33195026
    [No Abstract]   [Full Text] [Related]  

  • 44. How Lattice and Charge Fluctuations Control Carrier Dynamics in Halide Perovskites.
    Mayers MZ; Tan LZ; Egger DA; Rappe AM; Reichman DR
    Nano Lett; 2018 Dec; 18(12):8041-8046. PubMed ID: 30387614
    [TBL] [Abstract][Full Text] [Related]  

  • 45. A study of accurate exchange-correlation functionals through adiabatic connection.
    Singh R; Harbola MK
    J Chem Phys; 2017 Oct; 147(14):144105. PubMed ID: 29031261
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene.
    Kirchhoff B; Ivanov A; Skúlason E; Jacob T; Fantauzzi D; Jónsson H
    J Chem Theory Comput; 2021 Oct; 17(10):6405-6415. PubMed ID: 34550689
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H
    Smeets EWF; Voss J; Kroes GJ
    J Phys Chem A; 2019 Jun; 123(25):5395-5406. PubMed ID: 31149824
    [TBL] [Abstract][Full Text] [Related]  

  • 48. How reliable is DFT in predicting relative energies of polycyclic aromatic hydrocarbon isomers? comparison of functionals from different rungs of jacob's ladder.
    Karton A
    J Comput Chem; 2017 Mar; 38(6):370-382. PubMed ID: 27859494
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Soft Lattice and Defect Covalency Rationalize Tolerance of β-CsPbI
    Chu W; Saidi WA; Zhao J; Prezhdo OV
    Angew Chem Int Ed Engl; 2020 Apr; 59(16):6435-6441. PubMed ID: 31958363
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Comparative assessment of density functional methods for evaluating essential parameters to simulate SERS spectra within the excited state energy gradient approximation.
    Mohammadpour M; Jamshidi Z
    J Chem Phys; 2016 May; 144(19):194302. PubMed ID: 27208944
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Anharmonicity Explains Temperature Renormalization Effects of the Band Gap in SrTiO
    Wu YN; Saidi WA; Wuenschell JK; Tadano T; Ohodnicki P; Chorpening B; Duan Y
    J Phys Chem Lett; 2020 Apr; 11(7):2518-2523. PubMed ID: 32163705
    [TBL] [Abstract][Full Text] [Related]  

  • 52. TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes.
    Latouche C; Skouteris D; Palazzetti F; Barone V
    J Chem Theory Comput; 2015 Jul; 11(7):3281-9. PubMed ID: 26575764
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Binding: GFN1-xTB Method.
    Vicent-Luna JM; Apergi S; Tao S
    J Chem Inf Model; 2021 Sep; 61(9):4415-4424. PubMed ID: 34414764
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties.
    del Campo JM; Gázquez JL; Trickey SB; Vela A
    J Chem Phys; 2012 Mar; 136(10):104108. PubMed ID: 22423829
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvalues.
    Fauser S; Trushin E; Neiss C; Görling A
    J Chem Phys; 2021 Oct; 155(13):134111. PubMed ID: 34624971
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Tuning Electronic Structure in Layered Hybrid Perovskites with Organic Spacer Substitution.
    Leveillee J; Katan C; Even J; Ghosh D; Nie W; Mohite AD; Tretiak S; Schleife A; Neukirch AJ
    Nano Lett; 2019 Dec; 19(12):8732-8740. PubMed ID: 31675242
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Comparison of DFT methods for molecular orbital eigenvalue calculations.
    Zhang G; Musgrave CB
    J Phys Chem A; 2007 Mar; 111(8):1554-61. PubMed ID: 17279730
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Vibrational relaxation dynamics in layered perovskite quantum wells.
    Quan LN; Park Y; Guo P; Gao M; Jin J; Huang J; Copper JK; Schwartzberg A; Schaller R; Limmer DT; Yang P
    Proc Natl Acad Sci U S A; 2021 Jun; 118(25):. PubMed ID: 34131083
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Nature of Halide-Water Interactions: Insights from Many-Body Representations and Density Functional Theory.
    Bizzarro BB; Egan CK; Paesani F
    J Chem Theory Comput; 2019 May; 15(5):2983-2995. PubMed ID: 30913392
    [TBL] [Abstract][Full Text] [Related]  

  • 60. 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]  

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