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 *

217 related articles for article (PubMed ID: 17647251)

  • 41. Theoretical investigation of paramagnetic group 13 diazabutadiene radicals: insights into the prediction and interpretation of EPR spectroscopy parameters.
    Tuononen HM; Armstrong AF
    Dalton Trans; 2006 Apr; (15):1885-94. PubMed ID: 16585976
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Calculation of the Zeeman Effect for Transition-Metal Complexes by Multiconfiguration Pair-Density Functional Theory.
    Zhou C; Wu D; Gagliardi L; Truhlar DG
    J Chem Theory Comput; 2021 Aug; 17(8):5050-5063. PubMed ID: 34338523
    [TBL] [Abstract][Full Text] [Related]  

  • 43. EPR and DFT studies of the structure of phosphinyl radicals complexed by a pentacarbonyl transition metal.
    Ndiaye B; Bhat S; Jouaiti A; Berclaz T; Bernardinelli G; Geoffroy M
    J Phys Chem A; 2006 Aug; 110(31):9736-42. PubMed ID: 16884206
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Are the ground states of the later actinocenes multiconfigurational? All-electron spin-orbit coupled CASPT2 calculations on An(eta(8)-C8H8)2 (An = Th, U, Pu, Cm).
    Kerridge A; Kaltsoyannis N
    J Phys Chem A; 2009 Jul; 113(30):8737-45. PubMed ID: 19719318
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Influence of multi-atom bridging ligands on the electronic structure and magnetic properties of homodinuclear titanium molecules.
    Aikens CM; Gordon MS
    J Phys Chem A; 2005 Dec; 109(51):11885-901. PubMed ID: 16366640
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Synthesis, structure, and spectroscopic properties of chiral oxorhenium(V) complexes incorporating polydentate ligands derived from L-amino acids: a density functional theory/time-dependent density functional theory investigation.
    Basak S; Rajak KK
    Inorg Chem; 2008 Oct; 47(19):8813-22. PubMed ID: 18729447
    [TBL] [Abstract][Full Text] [Related]  

  • 47. DFT analysis of g and 13C hyperfine coupling tensors for model Ni(I)(CO)(n)L(m) (n = 1-4, L = H2O, OH-) complexes epitomizing surface nickel(I) carbonyls.
    Pietrzyk P; Podolska K; Sojka Z
    J Phys Chem A; 2008 Nov; 112(47):12208-19. PubMed ID: 18986126
    [TBL] [Abstract][Full Text] [Related]  

  • 48. A combined theoretical and experimental study of simple terminal group 6 nitride and phosphide N[triple bond]MX3 and P[triple bond]MX3 molecules.
    Wang X; Andrews L; Lindh R; Veryazov V; Roos BO
    J Phys Chem A; 2008 Sep; 112(35):8030-7. PubMed ID: 18693715
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Relativistic two-component calculations of electronic g-tensors that include spin polarization.
    Malkin I; Malkina OL; Malkin VG; Kaupp M
    J Chem Phys; 2005 Dec; 123(24):244103. PubMed ID: 16396530
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Organometallic uranium(V)-imido halide complexes: from synthesis to electronic structure and bonding.
    Graves CR; Yang P; Kozimor SA; Vaughn AE; Clark DL; Conradson SD; Schelter EJ; Scott BL; Thompson JD; Hay PJ; Morris DE; Kiplinger JL
    J Am Chem Soc; 2008 Apr; 130(15):5272-85. PubMed ID: 18366174
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Electronic structure and spectrum of UO2 2+ and UO2Cl4 2-.
    Pierloot K; van Besien E
    J Chem Phys; 2005 Nov; 123(20):204309. PubMed ID: 16351258
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Relativistic multireference calculation of photodissociation of o-, m-, and p-bromofluorobenzene.
    Li WZ; Chen SF; Liu YJ
    J Chem Phys; 2011 Mar; 134(11):114303. PubMed ID: 21428615
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Self-assembly of [B-SbW9O33]9- subunit with transition metal ions (Mn2+, Cu2+, Co2+) in aqueous solution: syntheses, structures and magnetic properties of sandwich type polyoxometalates with Subvalent Sb(III) heteroatom.
    Wang JP; Ma PT; Li J; Niu HY; Niu JY
    Chem Asian J; 2008 May; 3(5):822-33. PubMed ID: 18444239
    [TBL] [Abstract][Full Text] [Related]  

  • 54. The relativistic complete active-space second-order perturbation theory with the four-component Dirac Hamiltonian.
    Abe M; Nakajima T; Hirao K
    J Chem Phys; 2006 Dec; 125(23):234110. PubMed ID: 17190550
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Rare gas effects on hyperfine coupling constants of BO, AlO, and GaO.
    Grein F
    J Phys Chem A; 2005 Oct; 109(41):9270-8. PubMed ID: 16833268
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Ground and excited state CASPT2 geometry optimizations of small organic molecules.
    Page CS; Olivucci M
    J Comput Chem; 2003 Feb; 24(3):298-309. PubMed ID: 12548721
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Electronic structure of CeF from frozen-core four-component relativistic multiconfigurational quasidegenerate perturbation theory.
    Tatewaki H; Yamamoto S; Watanabe Y; Nakano H
    J Chem Phys; 2008 Jun; 128(21):214901. PubMed ID: 18537445
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Electronic structure and spectroscopy of "superoxidized" iron centers in model systems: theoretical and experimental trends.
    Berry JF; DeBeer George S; Neese F
    Phys Chem Chem Phys; 2008 Aug; 10(30):4361-74. PubMed ID: 18654674
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Theoretical study of valence photoelectron spectra of Re(CO)5X (X=Cl, Br, and I): a spin-orbit DK3 symmetry-adapted cluster/symmetry-adapted cluster-configuration interaction study.
    Nakajima T; Hane S; Hirao K
    J Chem Phys; 2006 Jun; 124(22):224307. PubMed ID: 16784274
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Electronic structure and bonding in heteronuclear dimers of V, Cr, Mo, and W: a CASSCF/CASPT2 study.
    Ruipérez F; Ugalde JM; Infante I
    Inorg Chem; 2011 Oct; 50(19):9219-29. PubMed ID: 21894920
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 11.