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298 related items for PubMed ID: 25237839
1. Ground-state properties of rare-earth metals: an evaluation of density-functional theory. Söderlind P, Turchi PE, Landa A, Lordi V. J Phys Condens Matter; 2014 Oct 15; 26(41):416001. PubMed ID: 25237839 [Abstract] [Full Text] [Related]
2. The behavior of f-levels in hcp and bcc rare-earth elements in the ground state and XPS and BIS spectroscopy from density-functional theory. Jarlborg T. J Phys Condens Matter; 2014 Apr 16; 26(15):155503. PubMed ID: 24675725 [Abstract] [Full Text] [Related]
3. Magnetic anisotropy of heteronuclear dimers in the gas phase and supported on graphene: relativistic density-functional calculations. Błoński P, Hafner J. J Phys Condens Matter; 2014 Apr 09; 26(14):146002. PubMed ID: 24651700 [Abstract] [Full Text] [Related]
4. Magnetic interactions in equi-atomic rare-earth intermetallic alloys RScGe (R = Ce, Pr, Nd and Gd) studied by time differential perturbed angular correlation spectroscopy and ab initio calculations. Mishra SN. J Phys Condens Matter; 2009 Mar 18; 21(11):115601. PubMed ID: 21693922 [Abstract] [Full Text] [Related]
5. Understanding and prediction of electronic-structure-driven physical behaviors in rare-earth compounds. Paudyal D, Pathak AK, Pecharsky VK, Gschneidner KA. J Phys Condens Matter; 2013 Oct 02; 25(39):396002. PubMed ID: 23999405 [Abstract] [Full Text] [Related]
12. Density functional theory studies of spin, charge, and orbital ordering in YBaT2O5 (T = Mn, Fe, Co). Vidya R, Ravindran P, Knizek K, Kjekshus A, Fjellvåg H. Inorg Chem; 2008 Aug 04; 47(15):6608-20. PubMed ID: 18611004 [Abstract] [Full Text] [Related]
14. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase. Glover WJ, Larsen RE, Schwartz BJ. J Chem Phys; 2008 Oct 28; 129(16):164505. PubMed ID: 19045282 [Abstract] [Full Text] [Related]
17. 3d-4f magnetic interaction with density functional theory plus u approach: local Coulomb correlation and exchange pathways. Zhang Y, Yang Y, Jiang H. J Phys Chem A; 2013 Dec 12; 117(49):13194-204. PubMed ID: 24274078 [Abstract] [Full Text] [Related]
18. Atomic and molecular adsorption on transition-metal carbide (111) surfaces from density-functional theory: a trend study of surface electronic factors. Vojvodic A, Ruberto C, Lundqvist BI. J Phys Condens Matter; 2010 Sep 22; 22(37):375504. PubMed ID: 21403200 [Abstract] [Full Text] [Related]