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 *

186 related articles for article (PubMed ID: 24784250)

  • 1. Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: explicit treatment of the vibronic transitions.
    D'Abramo M; Aschi M; Amadei A
    J Chem Phys; 2014 Apr; 140(16):164104. PubMed ID: 24784250
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: the vertical transition approximation.
    D'Alessandro M; Aschi M; Mazzuca C; Palleschi A; Amadei A
    J Chem Phys; 2013 Sep; 139(11):114102. PubMed ID: 24070274
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Unraveling electronic absorption spectra using nuclear quantum effects: Photoactive yellow protein and green fluorescent protein chromophores in water.
    Zuehlsdorff TJ; Napoli JA; Milanese JM; Markland TE; Isborn CM
    J Chem Phys; 2018 Jul; 149(2):024107. PubMed ID: 30007372
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Characterization of electronic properties in complex molecular systems: modeling of a micropolarity probe.
    Aschi M; Fontana A; Di Meo EM; Zazza C; Amadei A
    J Phys Chem B; 2010 Feb; 114(5):1915-24. PubMed ID: 20078086
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Vibrational and electronic spectra of 9,10-dihydrobenzo(a)pyren-7(8H)-one and 7,8,9,10-tetrahydrobenzo(a)pyrene: an experimental and computational study.
    Onchoke KK; Dutta PK; Parks ME; Martinez MN
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct; 81(1):162-71. PubMed ID: 21737341
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Hydrogen bond effects in the vibrational spectra of 1,3-propanediol in acetonitrile: ab initio and experimental study.
    Muniz-Miranda F; Pagliai M; Cardini G; Righini R
    J Chem Phys; 2012 Dec; 137(24):244501. PubMed ID: 23277939
    [TBL] [Abstract][Full Text] [Related]  

  • 7. DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid.
    Karabacak M; Kose E; Sas EB; Kurt M; Asiri AM; Atac A
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():306-20. PubMed ID: 25448934
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole.
    Chen CG; Aschi M; D'Abramo M; Amadei A
    Molecules; 2022 Nov; 27(23):. PubMed ID: 36500228
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Sticking to (first) principles: quantum molecular dynamics and Bayesian probabilistic methods to simulate aquatic pollutant absorption spectra.
    Trerayapiwat K; Ricke N; Cohen P; Poblete A; Rudel H; Eustis SN
    Environ Sci Process Impacts; 2016 Aug; 18(8):1068-77. PubMed ID: 27378210
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Computational vibrational spectroscopy of peptides and proteins in one and two dimensions.
    Jeon J; Yang S; Choi JH; Cho M
    Acc Chem Res; 2009 Sep; 42(9):1280-9. PubMed ID: 19456096
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.
    Asiri AM; Karabacak M; Kurt M; Alamry KA
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):444-55. PubMed ID: 21856218
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches.
    Petrone A; Cerezo J; Ferrer FJ; Donati G; Improta R; Rega N; Santoro F
    J Phys Chem A; 2015 May; 119(21):5426-38. PubMed ID: 25699575
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis.
    Karabacak M; Kose E; Atac A; Ali Cipiloglu M; Kurt M
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():892-908. PubMed ID: 22902933
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Normal coordinate analysis, molecular structure, vibrational, electronic spectra and NMR investigation of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione by ab initio HF and DFT method.
    Bahgat K; Fraihat S
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():1145-55. PubMed ID: 25195198
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A multifrequency virtual spectrometer for complex bio-organic systems: vibronic and environmental effects on the UV/Vis spectrum of chlorophyll a.
    Barone V; Biczysko M; Borkowska-Panek M; Bloino J
    Chemphyschem; 2014 Oct; 15(15):3355-64. PubMed ID: 25182331
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Vibrational Properties of the Phosphate Group Investigated by Molecular Dynamics and Density Functional Theory.
    Andrushchenko V; Benda L; Páv O; Dračínský M; Bouř P
    J Phys Chem B; 2015 Aug; 119(33):10682-92. PubMed ID: 26193890
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Determination of conformational and spectroscopic features of ethyl trans-alfa-cyano-3-indole-acrylate compound: an experimental and quantum chemical study.
    Cinar M; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():428-36. PubMed ID: 23274474
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent Hartree method.
    Meng Q; Faraji S; Vendrell O; Meyer HD
    J Chem Phys; 2012 Oct; 137(13):134302. PubMed ID: 23039594
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Vibronic-structure tracking: a shortcut for vibrationally resolved UV/Vis-spectra calculations.
    Barton D; König C; Neugebauer J
    J Chem Phys; 2014 Oct; 141(16):164115. PubMed ID: 25362280
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Vibronic coupling in asymmetric bichromophores: theory and application to diphenylmethane.
    Nebgen B; Emmert FL; Slipchenko LV
    J Chem Phys; 2012 Aug; 137(8):084112. PubMed ID: 22938223
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.