BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

147 related articles for article (PubMed ID: 37517269)

  • 1. Substituent and solvent effects on UV-visible absorption spectra of chalcones derivatives: Experimental and computational studies.
    Abbo HS; Hung Lai C; Titinchi SJJ
    Spectrochim Acta A Mol Biomol Spectrosc; 2023 Dec; 303():123180. PubMed ID: 37517269
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Synthesis, electronic, and spectral properties of novel geranylated chalcone derivatives: a theoretical and experimental study.
    Espinoza-Hicks JC; Nápoles-Duarte JM; Nevárez-Moorillón GV; Camacho-Dávila A; Rodríguez-Valdez LM
    J Mol Model; 2016 Oct; 22(10):253. PubMed ID: 27699552
    [TBL] [Abstract][Full Text] [Related]  

  • 3. UV-visible absorption spectra of [Ru(E)(E')(CO)(2)(iPr-DAB)] (E = E' = SnPh(3) or Cl; E = SnPh(3) or Cl, E' = CH(3); iPr-DAB = N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): combination of CASSCF/CASPT2 and TD-DFT calculations.
    Turki M; Daniel C; Zális S; Vlcek A; van Slageren J; Stufkens DJ
    J Am Chem Soc; 2001 Nov; 123(46):11431-40. PubMed ID: 11707120
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Synthesis, structure, spectral properties and DFT quantum chemical calculations of 4-aminoazobenzene dyes. Effect of intramolecular hydrogen bonding on photoisomerization.
    Georgiev A; Bubev E; Dimov D; Yancheva D; Zhivkov I; Krajčovič J; Vala M; Weiter M; Machkova M
    Spectrochim Acta A Mol Biomol Spectrosc; 2017 Mar; 175():76-91. PubMed ID: 28024251
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A DFT study on structures, frontier molecular orbitals and UV-vis spectra of RuX(PPh3)(NHCPh2)L (X=Tp and Cp; L=Cl and N3).
    Wang TH; Wang IT; Huang WL; Huang LY
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():650-6. PubMed ID: 24366160
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Far-Ultraviolet Spectroscopy and Quantum Chemical Calculation Studies of the Conformational Dependence on the Electronic Structure and Transitions of Cyclohexane, Methyl and Dimethyl Cyclohexane, and Decalin; Effects of Axial Substitutions on the Electronic Transitions.
    Morisawa Y; Higaki Y; Ozaki Y
    J Phys Chem A; 2021 Sep; 125(37):8205-8214. PubMed ID: 34505772
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Structural Effect on Absorption and Emission Properties of 1,8-Naphthalimide Derivatives: a DFT Study.
    Qi Q; Wang YQ; Sun YM
    Guang Pu Xue Yu Guang Pu Fen Xi; 2016 Nov; 36(11):3796-804. PubMed ID: 30226719
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Absorption spectra of p-nitroaniline derivatives: charge transfer effects and the role of substituents.
    Máximo-Canadas M; Borges I
    J Mol Model; 2024 Apr; 30(5):120. PubMed ID: 38564015
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Synthesis, Spectroscopic Characterization, and Time-Dependent DFT Calculations of 1-Methyl-5-phenyl-5
    Hamada NMM
    ChemistryOpen; 2018 Oct; 7(10):814-823. PubMed ID: 30338205
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functional theory.
    Kumar A; Deval V; Tandon P; Gupta A; Deepak D'silva E
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():41-53. PubMed ID: 24762572
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A systematic theoretical study of the electronic structures of porphyrin dimers: DFT and TD-DFT calculations on diporphyrins linked by ethane, ethene, ethyne, imine, and azo bridges.
    Rintoul L; Harper SR; Arnold DP
    Phys Chem Chem Phys; 2013 Nov; 15(43):18951-64. PubMed ID: 24097279
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantum chemical determination of molecular geometries, interpretation of FT-IR, FT-Raman spectra and charge transfer properties for N-(2-cyanoethyl)-N-methylaniline.
    Revathi B; Nataraj A; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():1-11. PubMed ID: 24444764
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Molecular structure, second- and third-order nonlinear optical properties and DFT studies of a novel non-centrosymmetric chalcone derivative: (2E)-3-(4-fluorophenyl)-1-(4-{[(1E)-(4-fluorophenyl)methylene]amino}phenyl)prop-2-en-1-one.
    Maidur SR; Patil PS; Ekbote A; Chia TS; Quah CK
    Spectrochim Acta A Mol Biomol Spectrosc; 2017 Sep; 184():342-354. PubMed ID: 28528255
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Intramolecular electronic communication in a dimethylaminoazobenzene-fullerene C60 dyad: an experimental and TD-DFT study.
    Kumar KS; Patnaik A
    J Comput Chem; 2010 Apr; 31(6):1182-94. PubMed ID: 19827143
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A combined solvatochromic shift and TDDFT study probing solute-solvent interactions of blue fluorescent Alexa Fluor 350 dye: Evaluation of ground and excited state dipole moments.
    Patil MK; Kotresh MG; Inamdar SR
    Spectrochim Acta A Mol Biomol Spectrosc; 2019 May; 215():142-152. PubMed ID: 30822733
    [TBL] [Abstract][Full Text] [Related]  

  • 18. [Molecular geometries and theoretical electronic spectra of four 1,8-naphthyridine derivatives].
    Chi SM; Li L; Chen Y; Fu WF
    Guang Pu Xue Yu Guang Pu Fen Xi; 2010 Mar; 30(3):586-90. PubMed ID: 20496665
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Effects of the 3- and 4-methoxy and acetamide substituents and solvent environment on the electronic properties of N-substituted 1,8-naphthalimide derivatives.
    Coronado JL; Martín E; Montero LA; Fierro JL; Vega JM
    J Phys Chem A; 2007 Oct; 111(39):9724-32. PubMed ID: 17824598
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Comparative theoretical study of the UV/Vis absorption spectra of styrylpyridine compounds using TD-DFT calculations.
    Castro ME; Percino MJ; Chapela VM; Soriano-Moro G; Ceron M; Melendez FJ
    J Mol Model; 2013 May; 19(5):2015-26. PubMed ID: 23053012
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.