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 *

149 related articles for article (PubMed ID: 27477821)

  • 41. Characterization of novel isobenzofuranones by DFT calculations and 2D NMR analysis.
    Teixeira MG; Alvarenga ES
    Magn Reson Chem; 2016 Aug; 54(8):623-31. PubMed ID: 26811211
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Molecular structure, vibrational spectra, natural bond orbital and thermodynamic analysis of 3,6-dichloro-4-methylpyridazine and 3,6-dichloropyridazine-4-carboxylic acid by dft approach.
    Prabavathi N; Senthil Nayaki N; Venkatram Reddy B
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():1134-48. PubMed ID: 25459510
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Accurate Prediction of NMR Chemical Shifts: Integrating DFT Calculations with Three-Dimensional Graph Neural Networks.
    Han C; Zhang D; Xia S; Zhang Y
    J Chem Theory Comput; 2024 Jun; 20(12):5250-5258. PubMed ID: 38842505
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Optical Absorption Spectra and Electronic Properties of Symmetric and Asymmetric Squaraine Dyes for Use in DSSC Solar Cells: DFT and TD-DFT Studies.
    El-Shishtawy RM; Elroby SA; Asiri AM; Müllen K
    Int J Mol Sci; 2016 Apr; 17(4):487. PubMed ID: 27043556
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Experimental (FT-IR, NMR and UV) and theoretical (M06-2X and DFT) investigation, and frequency estimation analyses on (E)-3-(4-bromo-5-methylthiophen-2-yl)acrylonitrile.
    Sert Y; Balakit AA; Öztürk N; Ucun F; El-Hiti GA
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Oct; 131():502-11. PubMed ID: 24840492
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Vibrational spectroscopic investigations of 4,4-dimethyl-2-oxazoline: A density functional theory approach.
    John Xavier R; Prabaharan A
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt C():1530-42. PubMed ID: 25459715
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Pyridazine-based Schiff base ligands with N4OxS2 (x=2, 4) donor set atoms: synthesis, characterization, spectral studies and 13C chemical shifts computed by the GIAO-DFT and CSGT-DFT methodologies.
    Khanmohammadi H; Erfantalab M
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jan; 75(1):127-33. PubMed ID: 19892590
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Accurate prediction of 195Pt NMR chemical shifts for a series of Pt(II) and Pt(IV) antitumor agents by a non-relativistic DFT computational protocol.
    Tsipis AC; Karapetsas IN
    Dalton Trans; 2014 Apr; 43(14):5409-26. PubMed ID: 24519094
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Vibrational assignments, normal coordinate analysis, B3LYP calculations and conformational analysis of methyl-5-amino-4-cyano-3-(methylthio)-1H-pyrazole-1-carbodithioate.
    Mohamed TA; Hassan AM; Soliman UA; Zoghaib WM; Husband J; Hassan SM
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1722-30. PubMed ID: 21676648
    [TBL] [Abstract][Full Text] [Related]  

  • 50. FT-IR and FT-Raman, NMR and UV spectroscopic investigation and hybrid computational (HF and DFT) analysis on the molecular structure of mesitylene.
    Kose E; Atac A; Karabacak M; Nagabalasubramanian PB; Asiri AM; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Dec; 116():622-34. PubMed ID: 23978748
    [TBL] [Abstract][Full Text] [Related]  

  • 51. GIAO DFT 13C/15N chemical shifts in regioisomeric structure determination of fused pyrazoles.
    Chimichi S; Boccalini M; Matteucci A; Kharlamov SV; Latypov SK; Sinyashin OG
    Magn Reson Chem; 2010 Aug; 48(8):607-13. PubMed ID: 20589725
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Molecular structure, vibrational and 13C NMR spectra of two ent-kaurenes spirolactone type diterpenoids rabdosinate and rabdosin B: a combined experimental and density functional methods.
    Wang T; Wang X
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():568-75. PubMed ID: 25123947
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Towards the versatile DFT and MP2 computational schemes for 31P NMR chemical shifts taking into account relativistic corrections.
    Fedorov SV; Rusakov YY; Krivdin LB
    Magn Reson Chem; 2014 Nov; 52(11):699-710. PubMed ID: 25155415
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Normal halogen dependence of
    Samultsev DO; Rusakov YY; Krivdin LB
    Magn Reson Chem; 2016 Oct; 54(10):787-792. PubMed ID: 27168025
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Towards Elucidating Structure-Spectra Relationships in Rhamnogalacturonan II: Computational Protocols for Accurate
    Bharadwaj VS; Westawker LP; Crowley MF
    Front Mol Biosci; 2021; 8():756219. PubMed ID: 35141275
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Computational studies of 13C NMR chemical shifts of saccharides.
    Taubert S; Konschin H; Sundholm D
    Phys Chem Chem Phys; 2005 Jul; 7(13):2561-9. PubMed ID: 16189565
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Theoretical and experimental 1H, 13C and 15N NMR studies of N-alkylation of substituted tetrazolo[1,5-a]pyridines.
    Berionni G; Pégot B; Goumont R
    Magn Reson Chem; 2010 Feb; 48(2):101-10. PubMed ID: 19937909
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: a density functional theory.
    Govindasamy P; Gunasekaran S; Ramkumaar GR
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():621-33. PubMed ID: 24813292
    [TBL] [Abstract][Full Text] [Related]  

  • 59. QM/MM calculation of protein magnetic shielding tensors with generalized hybrid-orbital method: a GIAO approach.
    Akinaga Y; Jung J; Ten-no S
    Phys Chem Chem Phys; 2011 Aug; 13(32):14490-9. PubMed ID: 21761071
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Predicting 9Be nuclear magnetic resonance chemical shielding tensors utilizing density functional theory.
    Plieger PG; John KD; Keizer TS; McCleskey TM; Burrell AK; Martin RL
    J Am Chem Soc; 2004 Nov; 126(44):14651-8. PubMed ID: 15521785
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.