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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

275 related articles for article (PubMed ID: 25273421)

  • 1. Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet states.
    Pinjari RV; Delcey MG; Guo M; Odelius M; Lundberg M
    J Chem Phys; 2014 Sep; 141(12):124116. PubMed ID: 25273421
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method.
    Guo M; Sørensen LK; Delcey MG; Pinjari RV; Lundberg M
    Phys Chem Chem Phys; 2016 Jan; 18(4):3250-9. PubMed ID: 26742851
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra.
    Pinjari RV; Delcey MG; Guo M; Odelius M; Lundberg M
    J Comput Chem; 2016 Feb; 37(5):477-86. PubMed ID: 26502979
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Multiplet calculations of L(2,3) x-ray absorption near-edge structures for 3d transition-metal compounds.
    Ikeno H; de Groot FM; Stavitski E; Tanaka I
    J Phys Condens Matter; 2009 Mar; 21(10):104208. PubMed ID: 21817428
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Simulating Ru L3-edge X-ray absorption spectroscopy with time-dependent density functional theory: model complexes and electron localization in mixed-valence metal dimers.
    Van Kuiken BE; Valiev M; Daifuku SL; Bannan C; Strader ML; Cho H; Huse N; Schoenlein RW; Govind N; Khalil M
    J Phys Chem A; 2013 May; 117(21):4444-54. PubMed ID: 23635307
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Molecular Orbital Simulations of Metal 1s2p Resonant Inelastic X-ray Scattering.
    Guo M; Källman E; Sørensen LK; Delcey MG; Pinjari RV; Lundberg M
    J Phys Chem A; 2016 Jul; 120(29):5848-55. PubMed ID: 27398775
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Metal-ligand covalency of iron complexes from high-resolution resonant inelastic X-ray scattering.
    Lundberg M; Kroll T; DeBeer S; Bergmann U; Wilson SA; Glatzel P; Nordlund D; Hedman B; Hodgson KO; Solomon EI
    J Am Chem Soc; 2013 Nov; 135(45):17121-34. PubMed ID: 24131028
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Characterization of charge transfer excitations in hexacyanomanganate(III) with Mn K-edge resonant inelastic x-ray scattering.
    Meyer DA; Zhang X; Bergmann U; Gaffney KJ
    J Chem Phys; 2010 Apr; 132(13):134502. PubMed ID: 20387936
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Anisotropic charge-transfer effects in the asymmetric Fe(CN)5NO octahedron of sodium nitroprusside: a soft X-ray absorption spectroscopy study.
    Nanba Y; Asakura D; Okubo M; Zhou H; Amemiya K; Okada K; Glans PA; Jenkins CA; Arenholz E; Guo J
    Phys Chem Chem Phys; 2014 Apr; 16(15):7031-6. PubMed ID: 24603987
    [TBL] [Abstract][Full Text] [Related]  

  • 12. L-edge X-ray absorption spectroscopy of non-heme iron sites: experimental determination of differential orbital covalency.
    Wasinger EC; de Groot FM; Hedman B; Hodgson KO; Solomon EI
    J Am Chem Soc; 2003 Oct; 125(42):12894-906. PubMed ID: 14558838
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Understanding the electronic structure of 4d metal complexes: from molecular spinors to L-edge spectra of a di-Ru catalyst.
    Alperovich I; Smolentsev G; Moonshiram D; Jurss JW; Concepcion JJ; Meyer TJ; Soldatov A; Pushkar Y
    J Am Chem Soc; 2011 Oct; 133(39):15786-94. PubMed ID: 21866913
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The electronic properties of three popular high spin complexes [TM(acac)
    Carlotto S; Floreano L; Cossaro A; Dominguez M; Rancan M; Sambi M; Casarin M
    Phys Chem Chem Phys; 2017 Sep; 19(36):24840-24854. PubMed ID: 28868556
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Re and Br X-ray absorption near-edge structure study of the ground and excited states of [ReBr(CO)3(bpy)] interpreted by DFT and TD-DFT calculations.
    Záliš S; Milne CJ; El Nahhas A; Blanco-Rodríguez AM; van der Veen RM; Vlček A
    Inorg Chem; 2013 May; 52(10):5775-85. PubMed ID: 23631457
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Distinguishing between High- and Low-Spin States for Divalent Mn in Mn-Based Prussian Blue Analogue by High-Resolution Soft X-ray Emission Spectroscopy.
    Asakura D; Nanba Y; Okubo M; Mizuno Y; Niwa H; Oshima M; Zhou H; Okada K; Harada Y
    J Phys Chem Lett; 2014 Nov; 5(22):4008-13. PubMed ID: 26276486
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A non-empirical calculation of 2p core-electron excitation in compounds with 3d transition metal ions using ligand-field and density functional theory (LFDFT).
    Ramanantoanina H; Daul C
    Phys Chem Chem Phys; 2017 Aug; 19(31):20919-20929. PubMed ID: 28745769
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 14.