BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

466 related articles for article (PubMed ID: 23638637)

  • 1. Assessment of the performance of long-range-corrected density functionals for calculating the absorption spectra of silver clusters.
    Rabilloud F
    J Phys Chem A; 2013 May; 117(20):4267-78. PubMed ID: 23638637
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Assessment of the accuracy of long-range corrected functionals for describing the electronic and optical properties of silver clusters.
    Silverstein DW; Jensen L
    J Chem Phys; 2010 May; 132(19):194302. PubMed ID: 20499958
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Description of plasmon-like band in silver clusters: the importance of the long-range Hartree-Fock exchange in time-dependent density-functional theory simulations.
    Rabilloud F
    J Chem Phys; 2014 Oct; 141(14):144302. PubMed ID: 25318717
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Optical absorption spectra of gold clusters Au(n) (n = 4, 6, 8,12, 20) from long-range corrected functionals with optimal tuning.
    Koppen JV; Hapka M; Szczęśniak MM; Chałasiński G
    J Chem Phys; 2012 Sep; 137(11):114302. PubMed ID: 22998257
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Performance of the M11 and M11-L density functionals for calculations of electronic excitation energies by adiabatic time-dependent density functional theory.
    Peverati R; Truhlar DG
    Phys Chem Chem Phys; 2012 Aug; 14(32):11363-70. PubMed ID: 22801459
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory.
    Plötner J; Tozer DJ; Dreuw A
    J Chem Theory Comput; 2010 Aug; 6(8):2315-24. PubMed ID: 26613488
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Theoretical study on the stability of double-decker type metal phthalocyanines, M(Pc)2 and M(Pc)2(+) (M = Ti, Sn and Sc): a critical assessment on the performance of density functionals.
    Sumimoto M; Kawashima Y; Hori K; Fujimoto H
    Phys Chem Chem Phys; 2015 Mar; 17(9):6478-83. PubMed ID: 25656639
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. How does LCDFT compare to SAC-CI for the treatment of valence and Rydberg excited states of organic compounds?
    Alipour M
    J Phys Chem A; 2014 Mar; 118(9):1741-7. PubMed ID: 24559047
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Appropriate description of intermolecular interactions in the methane hydrates: an assessment of DFT methods.
    Liu Y; Zhao J; Li F; Chen Z
    J Comput Chem; 2013 Jan; 34(2):121-31. PubMed ID: 22949382
    [TBL] [Abstract][Full Text] [Related]  

  • 11. TD-CI simulation of the electronic optical response of molecules in intense fields II: comparison of DFT functionals and EOM-CCSD.
    Sonk JA; Schlegel HB
    J Phys Chem A; 2011 Oct; 115(42):11832-40. PubMed ID: 21923137
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The Performance of Density Functionals for Sulfate-Water Clusters.
    Mardirossian N; Lambrecht DS; McCaslin L; Xantheas SS; Head-Gordon M
    J Chem Theory Comput; 2013 Mar; 9(3):1368-80. PubMed ID: 26587599
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Density functional theory assessment of molecular structures and energies of neutral and anionic Al(n) (n = 2-10) clusters.
    Paranthaman S; Hong K; Kim J; Kim DE; Kim TK
    J Phys Chem A; 2013 Sep; 117(38):9293-303. PubMed ID: 24028335
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Electronic structure of the S1 state in methylcobalamin: insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations.
    Kornobis K; Kumar N; Lodowski P; Jaworska M; Piecuch P; Lutz JJ; Wong BM; Kozlowski PM
    J Comput Chem; 2013 May; 34(12):987-1004. PubMed ID: 23335227
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Assessment of the performance of density-functional methods for calculations on iron porphyrins and related compounds.
    Liao MS; Watts JD; Huang MJ
    J Comput Chem; 2006 Oct; 27(13):1577-92. PubMed ID: 16868988
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Simultaneous Prediction of the Energies of Q
    Belosludov RV; Nevonen D; Rhoda HM; Sabin JR; Nemykin VN
    J Phys Chem A; 2019 Jan; 123(1):132-152. PubMed ID: 30512955
    [TBL] [Abstract][Full Text] [Related]  

  • 17. (1)La and (1)Lb States of Indole and Azaindole: Is Density Functional Theory Inadequate?
    Arulmozhiraja S; Coote ML
    J Chem Theory Comput; 2012 Feb; 8(2):575-84. PubMed ID: 26596606
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods.
    Zwijnenburg MA; Sousa C; Sokol AA; Bromley ST
    J Chem Phys; 2008 Jul; 129(1):014706. PubMed ID: 18624495
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Time-dependent density functional theory assessment of UV absorption of benzoic acid derivatives.
    Guo HB; He F; Gu B; Liang L; Smith JC
    J Phys Chem A; 2012 Dec; 116(48):11870-9. PubMed ID: 23134517
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The performance and relationship among range-separated schemes for density functional theory.
    Nguyen KA; Day PN; Pachter R
    J Chem Phys; 2011 Aug; 135(7):074109. PubMed ID: 21861558
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 24.