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 *

156 related articles for article (PubMed ID: 23567934)

  • 1. Modeling of the energies and splitting of the Qx and Qy bands in positional isomers of zinc pyridinoporphyrazines by TDDFT approach: can TDDFT help distinguishing the structural isomers?
    Gao Y; Nemykin VN
    J Mol Graph Model; 2013 May; 42():73-80. PubMed ID: 23567934
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Profiling energetics and spectroscopic signatures in prototropic tautomers of asymmetric phthalocyanine analogues.
    Nemykin VN; Sabin JR
    J Phys Chem A; 2012 Jul; 116(27):7364-71. PubMed ID: 22691046
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Comparative electronic structures and UV-vis spectra of tribenzosubporphyrin, tribenzomonoazasubporphyrin, tribenzodiazasubporphyrin, and subphthalocyanine: insight from DFT and TDDFT calculations.
    Gao Y; Solntsev PV; Nemykin VN
    J Mol Graph Model; 2012 Sep; 38():369-74. PubMed ID: 23085177
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Time-dependent density functional theory study of the electronic excitation spectra of chlorophyllide a and pheophorbide a in solvents.
    Qu ZW; Zhu H; May V; Schinke R
    J Phys Chem B; 2009 Apr; 113(14):4817-25. PubMed ID: 19292433
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Electronic structure and UV spectrum of fenofibrate in solutions.
    Le Y; Chen JF; Pu M
    Int J Pharm; 2008 Jun; 358(1-2):214-8. PubMed ID: 18457931
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Substituent effects on the structure-property relationship of unsymmetrical methyloxy and methoxycarbonyl phthalocyanines: DFT and TDDFT theoretical studies.
    Zhang L; Qi D; Zhao L; Bian Y; Li W
    J Mol Graph Model; 2012 May; 35():57-65. PubMed ID: 22196958
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: ultrafast experiments and DFT/TDDFT studies.
    Gunaratne TC; Gusev AV; Peng X; Rosa A; Ricciardi G; Baerends EJ; Rizzoli C; Kenney ME; Rodgers MA
    J Phys Chem A; 2005 Mar; 109(10):2078-89. PubMed ID: 16838978
    [TBL] [Abstract][Full Text] [Related]  

  • 10. DFT/TD-DFT study of solvent effect as well the substituents influence on the different features of TPP derivatives for PDT application.
    Dulski M; Kempa M; Kozub P; Wójcik J; Rojkiewicz M; Kuś P; Szurko A; Ratuszna A; Wrzalik R
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():315-27. PubMed ID: 23274259
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Photophysicochemical and fluorescence quenching studies of benzyloxyphenoxy-substituted zinc phthalocyanines.
    Durmuş M; Nyokong T
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Apr; 69(4):1170-7. PubMed ID: 17686651
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Photophysical and theoretical insights on fullerene/zincphthalocyanine supramolecular interaction in solution.
    Ray A; Santhosh K; Bhattacharya S
    J Phys Chem B; 2012 Oct; 116(39):11979-98. PubMed ID: 22909035
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Spectral, photophysical and photochemical properties of tetra- and octaglycosylated zinc phthalocyanines.
    Iqbal Z; Masilela N; Nyokong T; Lyubimtsev A; Hanack M; Ziegler T
    Photochem Photobiol Sci; 2012 Apr; 11(4):679-86. PubMed ID: 22286670
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes.
    Dreuw A; Head-Gordon M
    J Am Chem Soc; 2004 Mar; 126(12):4007-16. PubMed ID: 15038755
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular structure, vibrational spectra and HOMO, LUMO analysis of yohimbine hydrochloride by density functional theory and ab initio Hartree-Fock calculations.
    Joshi BD; Srivastava A; Tandon P; Jain S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):270-8. PubMed ID: 21856216
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Absorption and fluorescence spectra of heterocyclic isomers from long-range-corrected density functional theory in polarizable continuum approach.
    Kityk AV
    J Phys Chem A; 2012 Mar; 116(11):3048-55. PubMed ID: 22356351
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Density functional theory/time-dependent DFT studies on the structures, trend in DNA-binding affinities, and spectral properties of complexes [Ru(bpy)2(p-R-pip)]2+ (R = -OH, -CH3, -H, -NO2).
    Li J; Xu LC; Chen JC; Zheng KC; Ji LN
    J Phys Chem A; 2006 Jul; 110(26):8174-80. PubMed ID: 16805505
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Energy selection is not correlated in the Qx and Qy bands of a Mg-porphyrin embedded in a protein.
    Suisalu A; Mauring K; Kikas J; Herenyi L; Fidy J
    Biophys J; 2001 Jan; 80(1):498-504. PubMed ID: 11159420
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Effects of substituents on synthetic analogs of chlorophylls. Part 2: Redox properties, optical spectra and electronic structure.
    Kee HL; Kirmaier C; Tang Q; Diers JR; Muthiah C; Taniguchi M; Laha JK; Ptaszek M; Lindsey JS; Bocian DF; Holten D
    Photochem Photobiol; 2007; 83(5):1125-43. PubMed ID: 17880507
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.