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 *

321 related articles for article (PubMed ID: 21604686)

  • 21. Can density functional methods be used for open-shell actinide molecules? Comparison with multiconfigurational spin-orbit studies.
    Clavaguéra-Sarrio C; Vallet V; Maynau D; Marsden CJ
    J Chem Phys; 2004 Sep; 121(11):5312-21. PubMed ID: 15352824
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Fermiology and magnetism in weak itinerant ferromagnet CoS2: an ab initio study.
    Piñeiro A; Botana AS; Pardo V; Baldomir D
    J Phys Condens Matter; 2010 Dec; 22(50):505602. PubMed ID: 21406803
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Calculating electron paramagnetic resonance g-matrices for triplet state molecules from multireference spin-orbit configuration interaction wave functions.
    Tatchen J; Kleinschmidt M; Marian CM
    J Chem Phys; 2009 Apr; 130(15):154106. PubMed ID: 19388735
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Self-energy effects and electron-phonon coupling in Fe-As superconductors.
    Choi KY; Lemmens P; Eremin I; Zwicknagl G; Berger H; Sun GL; Sun DL; Lin CT
    J Phys Condens Matter; 2010 Mar; 22(11):115802. PubMed ID: 21389475
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Spin-spin contributions to the zero-field splitting tensor in organic triplets, carbenes and biradicals-a density functional and ab initio study.
    Sinnecker S; Neese F
    J Phys Chem A; 2006 Nov; 110(44):12267-75. PubMed ID: 17078624
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Spin-orbit coupling in O2(upsilon)+O2 collisions: I. Electronic structure calculations on dimer states involving the X 3Sigmag-, a 1Deltag, and b 1Sigmag+ states of O2.
    Dayou F; Hernández MI; Campos-Martínez J; Hernández-Lamoneda R
    J Chem Phys; 2005 Aug; 123(7):074311. PubMed ID: 16229574
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Breaking the phonon bottleneck in PbSe and CdSe quantum dots: time-domain density functional theory of charge carrier relaxation.
    Kilina SV; Kilin DS; Prezhdo OV
    ACS Nano; 2009 Jan; 3(1):93-9. PubMed ID: 19206254
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Andreev reflection and shot noise in a quantum dot with phonon modes.
    Zhang P; Li YX
    J Phys Condens Matter; 2009 Mar; 21(9):095602. PubMed ID: 21817402
    [TBL] [Abstract][Full Text] [Related]  

  • 29. The effect of spin-orbit coupling on fast neutral chemical reaction O(3P)+CH3-->CH3O.
    Yagi K; Takayanagi T; Taketsugu T; Hirao K
    J Chem Phys; 2004 Jun; 120(22):10395-403. PubMed ID: 15268067
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Phonon spectrum, electron spin-lattice relaxation and spin-phonon coupling of Cu2+ ions in BaF2 crystal.
    Hoffmann SK; Lijewski S
    J Magn Reson; 2015 Mar; 252():49-54. PubMed ID: 25655450
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Density functional theory study of the Jahn-Teller effect and spin-orbit coupling for copper and gold trimers.
    Shen Y; BelBruno JJ
    J Phys Chem A; 2005 Jan; 109(3):512-9. PubMed ID: 16833373
    [TBL] [Abstract][Full Text] [Related]  

  • 32. The calculation of indirect nuclear spin-spin coupling constants in large molecules.
    Watson MA; Sałek P; Macak P; Jaszuński M; Helgaker T
    Chemistry; 2004 Sep; 10(18):4627-39. PubMed ID: 15378642
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Model core potentials for studies of scalar-relativistic effects and spin-orbit coupling at Douglas-Kroll level. I. Theory and applications to Pb and Bi.
    Zeng T; Fedorov DG; Klobukowski M
    J Chem Phys; 2009 Sep; 131(12):124109. PubMed ID: 19791854
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Electron-phonon coupling in La
    Singh S; Pinsook U
    J Phys Condens Matter; 2023 Apr; 35(24):. PubMed ID: 36927624
    [TBL] [Abstract][Full Text] [Related]  

  • 35. All-electron LCAO calculations of the LiF crystal phonon spectrum: Influence of the basis set, the exchange-correlation functional, and the supercell size.
    Evarestov RA; Losev MV
    J Comput Chem; 2009 Dec; 30(16):2645-55. PubMed ID: 19382176
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Importance of direct spin-spin coupling and spin-flip excitations for the zero-field splittings of transition metal complexes: a case study.
    Neese F
    J Am Chem Soc; 2006 Aug; 128(31):10213-22. PubMed ID: 16881651
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Orbital dependent Rashba splitting and electron-phonon coupling of 2D Bi phase on Cu(100) surface.
    Gargiani P; Lisi S; Betti MG; Ibrahimi AT; Bertran F; Le Fèvre P; Chiodo L
    J Chem Phys; 2013 Nov; 139(18):184707. PubMed ID: 24320291
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Probing (1)J(C-F) and (n)J(F-F) spin-spin coupling constants for fluoroazines: an ab initio theoretical investigation.
    Del Bene JE; Alkorta I; Elguero J
    J Phys Chem A; 2010 Feb; 114(7):2637-43. PubMed ID: 20112975
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Study of the thermodynamic properties of CeO2 from ab initio calculations: the effect of phonon-phonon interaction.
    Niu ZW; Zeng ZY; Hu CE; Cai LC; Chen XR
    J Chem Phys; 2015 Jan; 142(1):014503. PubMed ID: 25573568
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Density-functional calculations of relativistic spin-orbit effects on nuclear magnetic shielding in paramagnetic molecules.
    Pennanen TO; Vaara J
    J Chem Phys; 2005 Nov; 123(17):174102. PubMed ID: 16375512
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 17.