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 *

136 related articles for article (PubMed ID: 26620659)

  • 21. Gaussian basis set of double zeta quality for atoms K through Kr: application in DFT calculations of molecular properties.
    Camiletti GG; Machado SF; Jorge FE
    J Comput Chem; 2008 Nov; 29(14):2434-44. PubMed ID: 18612996
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Coverage of dynamic correlation effects by density functional theory functionals: density-based analysis for neon.
    Jankowski K; Nowakowski K; Grabowski I; Wasilewski J
    J Chem Phys; 2009 Apr; 130(16):164102. PubMed ID: 19405556
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Calculation of
    Rusakov YY; Rusakova IL; Semenov VA; Samultsev DO; Fedorov SV; Krivdin LB
    J Phys Chem A; 2018 Aug; 122(33):6746-6759. PubMed ID: 30044627
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets.
    Laury ML; Carlson MJ; Wilson AK
    J Comput Chem; 2012 Nov; 33(30):2380-7. PubMed ID: 22815183
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Accurate calculation of the heats of formation for large main group compounds with spin-component scaled MP2 methods.
    Grimme S
    J Phys Chem A; 2005 Apr; 109(13):3067-77. PubMed ID: 16833631
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Comment on "Calibration of
    Grandjean F; Long GJ
    Phys Chem Chem Phys; 2016 Sep; 18(37):26306-26309. PubMed ID: 27711417
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Scaled density functional theory correlation functionals.
    Ghouri MM; Singh S; Ramachandran B
    J Phys Chem A; 2007 Oct; 111(41):10390-9. PubMed ID: 17602600
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Optimized basis sets for the calculation of indirect nuclear spin-spin coupling constants involving the atoms B, Al, Si, P, and Cl.
    Provasi PF; Sauer SP
    J Chem Phys; 2010 Aug; 133(5):054308. PubMed ID: 20707533
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Comparison of DFT methods for molecular orbital eigenvalue calculations.
    Zhang G; Musgrave CB
    J Phys Chem A; 2007 Mar; 111(8):1554-61. PubMed ID: 17279730
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Geometrical correction for the inter- and intramolecular basis set superposition error in periodic density functional theory calculations.
    Brandenburg JG; Alessio M; Civalleri B; Peintinger MF; Bredow T; Grimme S
    J Phys Chem A; 2013 Sep; 117(38):9282-92. PubMed ID: 23947824
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Validation of Relativistic DFT Approaches to the Calculation of NMR Chemical Shifts in Square-Planar Pt(2+) and Au(3+) Complexes.
    Pawlak T; Munzarová ML; Pazderski L; Marek R
    J Chem Theory Comput; 2011 Dec; 7(12):3909-23. PubMed ID: 26598337
    [TBL] [Abstract][Full Text] [Related]  

  • 33. A TDDFT study of the fluorescence properties of three alkoxypyridylindolizine derivatives.
    Aittala PJ; Cramariuc O; Hukka TI; Vasilescu M; Bandula R; Lemmetyinen H
    J Phys Chem A; 2010 Jul; 114(26):7094-101. PubMed ID: 20524696
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Mössbauer isomer shifts and effective contact densities obtained by the exact two-component (X2C) relativistic method and its local variants.
    Zhu H; Gao C; Filatov M; Zou W
    Phys Chem Chem Phys; 2020 Dec; 22(46):26776-26786. PubMed ID: 33210680
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
    Li AH; Chao SD
    J Chem Phys; 2006 Sep; 125(9):094312. PubMed ID: 16965085
    [TBL] [Abstract][Full Text] [Related]  

  • 36.
    Desmarais JK; Bi W; Zhao J; Hu MH; Alp E; Tse JS
    J Chem Phys; 2021 Jun; 154(21):214104. PubMed ID: 34240999
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
    Nemykin VN; Hadt RG; Belosludov RV; Mizuseki H; Kawazoe Y
    J Phys Chem A; 2007 Dec; 111(50):12901-13. PubMed ID: 18004829
    [TBL] [Abstract][Full Text] [Related]  

  • 38. On the calculation of Mössbauer isomer shift.
    Filatov M
    J Chem Phys; 2007 Aug; 127(8):084101. PubMed ID: 17764223
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Regression formulas for density functional theory calculated 1H and 13C NMR chemical shifts in toluene-d8.
    Konstantinov IA; Broadbelt LJ
    J Phys Chem A; 2011 Nov; 115(44):12364-72. PubMed ID: 21966955
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Comparison of density functionals for energy and structural differences between the high- [5T2g:(t2g)4(eg)2] and low- [1A1g:(t2g)6(eg)0] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+.
    Fouqueau A; Casida ME; Lawson Daku LM; Hauser A; Neese F
    J Chem Phys; 2005 Jan; 122(4):44110. PubMed ID: 15740238
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.