405 related articles for article (PubMed ID: 28933158)
1. 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]
2. Iron L
Kowalska JK; Nayyar B; Rees JA; Schiewer CE; Lee SC; Kovacs JA; Meyer F; Weyhermüller T; Otero E; DeBeer S
Inorg Chem; 2017 Jul; 56(14):8147-8158. PubMed ID: 28653855
[TBL] [Abstract][Full Text] [Related]
3. Mechanism of L
Maganas D; Kowalska JK; Van Stappen C; DeBeer S; Neese F
J Chem Phys; 2020 Mar; 152(11):114107. PubMed ID: 32199419
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Identification of Second Shell Coordination in Transition Metal Species Using Theoretical XANES: Example of Ti-O-(C, Si, Ge) Complexes.
Spanjers CS; Guillo P; Tilley TD; Janik MJ; Rioux RM
J Phys Chem A; 2017 Jan; 121(1):162-167. PubMed ID: 27951643
[TBL] [Abstract][Full Text] [Related]
6. Multi-edge X-ray absorption spectroscopy. 1. X-ray absorption near-edge structure analysis of a biomimetic model of FeFe-hydrogenase.
Giles LJ; Grigoropoulos A; Szilagyi RK
J Phys Chem A; 2012 Dec; 116(50):12280-98. PubMed ID: 23145835
[TBL] [Abstract][Full Text] [Related]
7. Comparison of multireference ab initio wavefunction methodologies for X-ray absorption edges: A case study on [Fe(II/III)Cl
Maganas D; Kowalska JK; Nooijen M; DeBeer S; Neese F
J Chem Phys; 2019 Mar; 150(10):104106. PubMed ID: 30876345
[TBL] [Abstract][Full Text] [Related]
8. Origin of the pre-peak features in the oxygen K-edge x-ray absorption spectra of LaFeO₃ and LaMnO₃ studied by Ga substitution of the transition metal ion.
Lafuerza S; Subías G; García J; Di Matteo S; Blasco J; Cuartero V; Natoli CR
J Phys Condens Matter; 2011 Aug; 23(32):325601. PubMed ID: 21795764
[TBL] [Abstract][Full Text] [Related]
9. Temperature dependence of the Ho L2-edge XMCD spectra of Ho6Fe23.
Boada R; Laguna-Marco MA; Chaboy J
J Synchrotron Radiat; 2009 Jan; 16(Pt 1):38-42. PubMed ID: 19096172
[TBL] [Abstract][Full Text] [Related]
10. Simulating picosecond iron K-edge X-ray absorption spectra by ab initio methods to study photoinduced changes in the electronic structure of Fe(II) spin crossover complexes.
Van Kuiken BE; Khalil M
J Phys Chem A; 2011 Oct; 115(39):10749-61. PubMed ID: 21846088
[TBL] [Abstract][Full Text] [Related]
11. Progress and challenges in the theory and interpretation of X-ray spectra.
Rehr JJ; Ankudinov AL
J Synchrotron Radiat; 2001 Mar; 8(Pt 2):61-5. PubMed ID: 11512868
[TBL] [Abstract][Full Text] [Related]
12. Evolution of electronic and magnetic properties of nominal magnetite nanoparticles at high pressure probed by x-ray absorption and emission techniques.
Werellapatha K; Escanhoela CA; Fabbris G; Haskel D; Ankudinov A; Chow P
J Phys Condens Matter; 2019 Jun; 31(25):255301. PubMed ID: 30889564
[TBL] [Abstract][Full Text] [Related]
13. Using magnetic circular dichroism for the study of the magnetization and the magnetic moments of atoms in Nd(3)Fe(27.5)Ti(1.5).
Sarafidis C; Wilhelm F; Rogalev A; Gjoka M; Kalogirou O
J Phys Condens Matter; 2009 Jun; 21(23):236001. PubMed ID: 21825598
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Solvent effect of alcohols at the L-edge of iron in solution: X-ray absorption and multiplet calculations.
Bonhommeau S; Ottosson N; Pokapanich W; Svensson S; Eberhardt W; Björneholm O; Aziz EF
J Phys Chem B; 2008 Oct; 112(40):12571-4. PubMed ID: 18826271
[TBL] [Abstract][Full Text] [Related]
16. On the orbital anisotropy in hematite nanorod-based photoanodes.
Kronawitter CX; Zegkinoglou I; Shen S; Guo J; Himpsel FJ; Mao SS; Vayssieres L
Phys Chem Chem Phys; 2013 Aug; 15(32):13483-8. PubMed ID: 23839223
[TBL] [Abstract][Full Text] [Related]
17. First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin-orbit coupled configuration interaction approaches.
Maganas D; Roemelt M; Hävecker M; Trunschke A; Knop-Gericke A; Schlögl R; Neese F
Phys Chem Chem Phys; 2013 May; 15(19):7260-76. PubMed ID: 23575467
[TBL] [Abstract][Full Text] [Related]
18. Investigation of the Fe K-edge XANES spectra from Fe(1-x)Ga(x)SbO4: local versus nonlocal excitations.
Sigrist JA; Gaultois MW; Grosvenor AP
J Phys Chem A; 2011 Mar; 115(10):1908-12. PubMed ID: 21338153
[TBL] [Abstract][Full Text] [Related]
19. Identification of the iron oxidation state and coordination geometry in iron oxide- and zeolite-based catalysts using pre-edge XAS analysis.
Boubnov A; Lichtenberg H; Mangold S; Grunwaldt JD
J Synchrotron Radiat; 2015 Mar; 22(2):410-26. PubMed ID: 25723943
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
