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Journal Abstract Search

201 related items for PubMed ID: 31603163

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  • 30. 4f fine-structure levels as the dominant error in the electronic structures of binary lanthanide oxides.
    Huang B.
    J Comput Chem; 2016 Apr 05; 37(9):825-35. PubMed ID: 26666512
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  • 31. Dramatic Enhancement of Rare-Earth Metal-Organic Framework Stability Via Metal Cluster Fluorination.
    Christian MS, Fritzsching KJ, Harvey JA, Sava Gallis DF, Nenoff TM, Rimsza JM.
    JACS Au; 2022 Aug 22; 2(8):1889-1898. PubMed ID: 36032529
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  • 32. Spin-spin contributions to the zero-field splitting tensor in organic triplets, carbenes and biradicals-a density functional and ab initio study.
    Sinnecker S, Neese F.
    J Phys Chem A; 2006 Nov 09; 110(44):12267-75. PubMed ID: 17078624
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  • 33. The electronic structures and magnetic properties of mixed-valence Fe-based metal-organic VNU-15 frameworks: a theoretical study from linear response DFT+U calculations.
    Dang DT, Dong HC, Kawazoe Y, Kuo JL, Nguyen-Manh D.
    RSC Adv; 2020 Sep 16; 10(57):34690-34701. PubMed ID: 35514422
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  • 34. Nonequivalent Spin Exchanges of the Hexagonal Spin Lattice Affecting the Low-Temperature Magnetic Properties of RInO3 (R = Gd, Tb, Dy): Importance of Spin-Orbit Coupling for Spin Exchanges between Rare-Earth Cations with Nonzero Orbital Moments.
    Gordon EE, Cheng X, Kim J, Cheong SW, Deng S, Whangbo MH.
    Inorg Chem; 2018 Aug 06; 57(15):9260-9265. PubMed ID: 30036040
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  • 36. Properties of IRMOF-14 and its analogues M-IRMOF-14 (M = Cd, alkaline earth metals): electronic structure, structural stability, chemical bonding, and optical properties.
    Yang LM, Ravindran P, Vajeeston P, Tilset M.
    Phys Chem Chem Phys; 2012 Apr 14; 14(14):4713-23. PubMed ID: 22382620
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  • 38. Communication: improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons.
    Plata JJ, Márquez AM, Sanz JF.
    J Chem Phys; 2012 Jan 28; 136(4):041101. PubMed ID: 22299851
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  • 39. Weak antiferromagnetic coupling in molecular ring is predicted correctly by density functional theory plus Hubbard U.
    Gangopadhyay S, Masunov AE, Poalelungi E, Leuenberger MN.
    J Chem Phys; 2010 Jun 28; 132(24):244104. PubMed ID: 20590178
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  • 40. Band structures of 4f and 5f materials studied by angle-resolved photoelectron spectroscopy.
    Fujimori S.
    J Phys Condens Matter; 2016 Apr 20; 28(15):153002. PubMed ID: 26974712
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