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Journal Abstract Search
201 related items for PubMed ID: 31603163
1. Structure and electronic properties of rare earth DOBDC metal-organic-frameworks. Vogel DJ, Sava Gallis DF, Nenoff TM, Rimsza JM. Phys Chem Chem Phys; 2019 Oct 24; 21(41):23085-23093. PubMed ID: 31603163 [Abstract] [Full Text] [Related]
3. Tuned Hydrogen Bonding in Rare-Earth Metal-Organic Frameworks for Design of Optical and Electronic Properties: An Exemplar Study of Y-2,5-Dihydroxyterephthalic Acid. Vogel DJ, Nenoff TM, Rimsza JM. ACS Appl Mater Interfaces; 2020 Jan 29; 12(4):4531-4539. PubMed ID: 31905286 [Abstract] [Full Text] [Related]
11. Biased Spin-State Energetics of Fe(II) Molecular Complexes within Density-Functional Theory and the Linear-Response Hubbard U Correction. Mariano LA, Vlaisavljevich B, Poloni R. J Chem Theory Comput; 2020 Nov 10; 16(11):6755-6762. PubMed ID: 33108722 [Abstract] [Full Text] [Related]
16. Structural and electronic properties of lutecia from first principles. Ning L, Zhang Y, Cui Z. J Phys Condens Matter; 2009 Nov 11; 21(45):455601. PubMed ID: 21694015 [Abstract] [Full Text] [Related]
17. Computer Modelling of Energy Structure of Yb3+ and Lu3+ Doped LaF3 Crystals. Chornodolskyy Y, Karnaushenko V, Selech J, Vistovskyy V, Demkiv T, Przystupa K, Syrotyuk S, Voloshinovskii A. Materials (Basel); 2022 Nov 10; 15(22):. PubMed ID: 36431422 [Abstract] [Full Text] [Related]
18. Improving gas adsorption modeling for MOFs by local calibration of Hubbard U parameters. Cho Y, Kulik HJ. J Chem Phys; 2024 Apr 21; 160(15):. PubMed ID: 38624114 [Abstract] [Full Text] [Related]
19. Band gap modulation of functionalized metal-organic frameworks. Musho T, Li J, Wu N. Phys Chem Chem Phys; 2014 Nov 21; 16(43):23646-53. PubMed ID: 25269595 [Abstract] [Full Text] [Related]
20. Magnetite: a search for the half-metallic state. Fonin M, Dedkov YS, Pentcheva R, Rüdiger U, Güntherodt G. J Phys Condens Matter; 2007 Aug 08; 19(31):315217. PubMed ID: 21694117 [Abstract] [Full Text] [Related] Page: [Next] [New Search]