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 *

329 related articles for article (PubMed ID: 16986869)

  • 21. Accurate calculation of absolute one-electron redox potentials of some para-quinone derivatives in acetonitrile.
    Namazian M; Coote ML
    J Phys Chem A; 2007 Aug; 111(30):7227-32. PubMed ID: 17625811
    [TBL] [Abstract][Full Text] [Related]  

  • 22. The calculated ionization potential and electron affinity of cationic cyanine dyes.
    Delgado JC; Ishikawa Y; Selsby RG
    Photochem Photobiol; 2009; 85(6):1286-98. PubMed ID: 19706146
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.
    Khvostichenko D; Choi A; Boulatov R
    J Phys Chem A; 2008 Apr; 112(16):3700-11. PubMed ID: 18348545
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability.
    Schwabe T; Grimme S
    Phys Chem Chem Phys; 2007 Jul; 9(26):3397-406. PubMed ID: 17664963
    [TBL] [Abstract][Full Text] [Related]  

  • 25. A study of electron affinities using the initiator approach to full configuration interaction quantum Monte Carlo.
    Cleland DM; Booth GH; Alavi A
    J Chem Phys; 2011 Jan; 134(2):024112. PubMed ID: 21241085
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Experimental and theoretical study of the microsolvation of sodium atoms in methanol clusters: differences and similarities to sodium-water and sodium-ammonia.
    Dauster I; Suhm MA; Buck U; Zeuch T
    Phys Chem Chem Phys; 2008 Jan; 10(1):83-95. PubMed ID: 18075686
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Assessment of quantum-chemical methods for electronic properties and geometry of signaling biomolecules.
    Ferro N; Bredow T
    J Comput Chem; 2010 Apr; 31(5):1063-79. PubMed ID: 19899146
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Structures, electron affinities, and harmonic vibrational frequencies of C6H5X/C6H5X- (X = N, S, NH, PH, CH2, and SiH2).
    Xu W; Gao A
    J Phys Chem A; 2006 Jan; 110(3):997-1004. PubMed ID: 16420000
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Scaling dynamical correlation energy from density functional theory correlation functionals.
    Ramachandran B
    J Phys Chem A; 2006 Jan; 110(2):396-403. PubMed ID: 16405310
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Empirical corrections to density functional theory highlight the importance of nonbonded intramolecular interactions in alkanes.
    Wodrich MD; Jana DF; Schleyer Pv; Corminboeuf C
    J Phys Chem A; 2008 Nov; 112(45):11495-500. PubMed ID: 18925729
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Detection and determination of the {Fe(NO)(2)} core vibrational features in dinitrosyl-iron complexes from experiment, normal coordinate analysis, and density functional theory: an avenue for probing the nitric oxide oxidation state.
    Dai RJ; Ke SC
    J Phys Chem B; 2007 Mar; 111(9):2335-46. PubMed ID: 17295535
    [TBL] [Abstract][Full Text] [Related]  

  • 32. The non-covalent functionalisation of carbon nanotubes studied by density functional and semi-empirical molecular orbital methods including dispersion corrections.
    McNamara JP; Sharma R; Vincent MA; Hillier IH; Morgado CA
    Phys Chem Chem Phys; 2008 Jan; 10(1):128-35. PubMed ID: 18075691
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Neural network approach to quantum-chemistry data: accurate prediction of density functional theory energies.
    Balabin RM; Lomakina EI
    J Chem Phys; 2009 Aug; 131(7):074104. PubMed ID: 19708729
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Accurate theoretical chemistry with coupled pair models.
    Neese F; Hansen A; Wennmohs F; Grimme S
    Acc Chem Res; 2009 May; 42(5):641-8. PubMed ID: 19296607
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Density functional study of double ionization energies.
    Chong DP
    J Chem Phys; 2008 Feb; 128(8):084112. PubMed ID: 18315038
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Computation of vertical excitation energies of retinal and analogs: scope and limitations.
    López CS; Faza ON; Estévez SL; de Lera AR
    J Comput Chem; 2006 Jan; 27(1):116-23. PubMed ID: 16273505
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Electron affinities of 1,1-diaryl-2,3,4,5-tetraphenylsiloles: direct measurements and comparison with experimental and theoretical estimates.
    Zhan X; Risko C; Amy F; Chan C; Zhao W; Barlow S; Kahn A; Brédas JL; Marder SR
    J Am Chem Soc; 2005 Jun; 127(25):9021-9. PubMed ID: 15969579
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Accurate prediction for electron affinities of the radicals derived from the halide benzene.
    Xu W; Gao A
    J Chem Phys; 2005 Aug; 123(8):084320. PubMed ID: 16164304
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Correlation energy of many-electron systems: a modified Colle-Salvetti approach.
    Ragot S; Cortona P
    J Chem Phys; 2004 Oct; 121(16):7671-80. PubMed ID: 15485226
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Probing the structural evolution of Cu(N) (-), N=9-20, through a comparison of computed electron removal energies and experimental photoelectron spectra.
    Yang M; Yang F; Jackson KA; Jellinek J
    J Chem Phys; 2010 Feb; 132(6):064306. PubMed ID: 20151742
    [TBL] [Abstract][Full Text] [Related]  

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