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.
393 related articles for article (PubMed ID: 26134809)
1. Real-space multiple-scattering Hubbard model calculations for d- and f-state materials. Vorwerk C; Jorissen K; Rehr J; Ahmed T J Synchrotron Radiat; 2015 Jul; 22(4):1042-8. PubMed ID: 26134809 [TBL] [Abstract][Full Text] [Related]
2. Parameter-free calculations of X-ray spectra with FEFF9. Rehr JJ; Kas JJ; Vila FD; Prange MP; Jorissen K Phys Chem Chem Phys; 2010 Jun; 12(21):5503-13. PubMed ID: 20445945 [TBL] [Abstract][Full Text] [Related]
3. Ab Initio Calculations of X-ray Spectra: Atomic Multiplet and Molecular Orbital Effects in a Multiconfigurational SCF Approach to the L-Edge Spectra of Transition Metal Complexes. Josefsson I; Kunnus K; Schreck S; Föhlisch A; de Groot F; Wernet P; Odelius M J Phys Chem Lett; 2012 Dec; 3(23):3565-70. PubMed ID: 26290989 [TBL] [Abstract][Full Text] [Related]
4. First-Principles Fe L Sassi M; Pearce CI; Bagus PS; Arenholz E; Rosso KM J Phys Chem A; 2017 Oct; 121(40):7613-7618. PubMed ID: 28933158 [TBL] [Abstract][Full Text] [Related]
5. Structural and electronic properties of protein/thiolate-protected gold nanocluster with "staple" motif: A XAS, L-DOS, and XPS study. Simms GA; Padmos JD; Zhang P J Chem Phys; 2009 Dec; 131(21):214703. PubMed ID: 19968356 [TBL] [Abstract][Full Text] [Related]
6. Polarization dependent high energy resolution X-ray absorption study of dicesium uranyl tetrachloride. Vitova T; Green JC; Denning RG; Löble M; Kvashnina K; Kas JJ; Jorissen K; Rehr JJ; Malcherek T; Denecke MA Inorg Chem; 2015 Jan; 54(1):174-82. PubMed ID: 25485552 [TBL] [Abstract][Full Text] [Related]
7. Ab initio electron propagators in molecules with strong electron-phonon interaction: II. Electron Green's function. Dahnovsky Y J Chem Phys; 2007 Jul; 127(1):014104. PubMed ID: 17627334 [TBL] [Abstract][Full Text] [Related]
8. Electronic structure, X-ray absorption, and optical spectroscopy of LaCoO(3) in the ground-state and excited-states. Laref A; Laref S; Bin-Omran S J Comput Chem; 2012 Mar; 33(6):673-84. PubMed ID: 22173969 [TBL] [Abstract][Full Text] [Related]
10. X-ray absorption spectroscopy of hemes and hemeproteins in solution: multiple scattering analysis. D'Angelo P; Lapi A; Migliorati V; Arcovito A; Benfatto M; Roscioni OM; Meyer-Klaucke W; Della-Longa S Inorg Chem; 2008 Nov; 47(21):9905-18. PubMed ID: 18837548 [TBL] [Abstract][Full Text] [Related]
11. F K-edge X-ray absorption near-edge structure (XANES) of AlF3 polymorphs: combining ab initio calculations with Walsh correlation diagrams. Schroeder SL; Weiher N Phys Chem Chem Phys; 2006 Apr; 8(15):1807-11. PubMed ID: 16633665 [TBL] [Abstract][Full Text] [Related]
12. Practical aspects of electron energy-loss spectroscopy (EELS) calculations using FEFF8. Moreno MS; Jorissen K; Rehr JJ Micron; 2007; 38(1):1-11. PubMed ID: 16714118 [TBL] [Abstract][Full Text] [Related]
13. Influence of the local atomic structure in the X-ray absorption near edge spectroscopy of neptunium oxo ions. Lozano JM; Clark DL; Conradson SD; Den Auwer C; Fillaux C; Guilaumont D; Keogh DW; Mustre de Leon J; Palmer PD; Simoni E Phys Chem Chem Phys; 2009 Nov; 11(44):10396-402. PubMed ID: 19890525 [TBL] [Abstract][Full Text] [Related]
14. A self-consistent Hubbard U density-functional theory approach to the addition-elimination reactions of hydrocarbons on bare FeO+. Kulik HJ; Marzari N J Chem Phys; 2008 Oct; 129(13):134314. PubMed ID: 19045097 [TBL] [Abstract][Full Text] [Related]
15. Effect of hydrogen adsorption on the x-ray absorption spectra of small Pt clusters. Ankudinov AL; Rehr JJ; Low J; Bare SR Phys Rev Lett; 2001 Feb; 86(8):1642-5. PubMed ID: 11290213 [TBL] [Abstract][Full Text] [Related]
16. Density functional calculations of the vibronic structure of electronic absorption spectra. Dierksen M; Grimme S J Chem Phys; 2004 Feb; 120(8):3544-54. PubMed ID: 15268516 [TBL] [Abstract][Full Text] [Related]
17. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: application to transition metal L-edge X-ray absorption spectroscopy. Roemelt M; Maganas D; DeBeer S; Neese F J Chem Phys; 2013 May; 138(20):204101. PubMed ID: 23742448 [TBL] [Abstract][Full Text] [Related]
18. Core-hole effects on the ELNES of absorption edges in SrTiO3. van Benthem K; Elsässer C; Rühle M Ultramicroscopy; 2003 Sep; 96(3-4):509-22. PubMed ID: 12871812 [TBL] [Abstract][Full Text] [Related]
19. Ab initio calculations for the photoelectron spectra of vanadium clusters. Li S; Alemany MM; Chelikowsky JR J Chem Phys; 2004 Sep; 121(12):5893-8. PubMed ID: 15367017 [TBL] [Abstract][Full Text] [Related]
20. Local electronic nematicity in the two-dimensional one-band Hubbard model. Fang K; Fernando GW; Kocharian AN J Phys Condens Matter; 2013 May; 25(20):205601. PubMed ID: 23612444 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]