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 *

102 related articles for article (PubMed ID: 27933911)

  • 21. 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]  

  • 22. Infrared and NMR spectra, tautomerism, vibrational assignment, normal coordinate analysis, and quantum mechanical calculations of 4-amino-5-pyrimidinecarbonitrile.
    Afifi MS; Farag RS; Shaaban IA; Wilson LD; Zoghaib WM; Mohamed TA
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Jul; 111():277-89. PubMed ID: 23669406
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
    Marenich AV; Cramer CJ; Truhlar DG
    J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259
    [TBL] [Abstract][Full Text] [Related]  

  • 24.
    Nazarski RB
    J Incl Phenom Macrocycl Chem; 2014; 78(1):299-310. PubMed ID: 24431982
    [TBL] [Abstract][Full Text] [Related]  

  • 25. The impact of the pi-electron conjugation on (15)N, (13)C and (1)H NMR chemical shifts in push-pull benzothiazolium salts. Experimental and theoretical study.
    Hrobárik P; Horváth B; Sigmundová I; Zahradník P; Malkina OL
    Magn Reson Chem; 2007 Nov; 45(11):942-53. PubMed ID: 17924356
    [TBL] [Abstract][Full Text] [Related]  

  • 26. 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]  

  • 27. Solution structure of succinylacetone, an unsymmetrical beta-diketone, as studied by 13C NMR and GIAO-DFT calculations.
    Bal D; Kraska-Dziadecka A; Gryff-Keller A
    J Org Chem; 2009 Nov; 74(22):8604-9. PubMed ID: 19839628
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Ab Initio/GIAO-CCSD(T) study of bicyclic and related strained olefins. Structures and 13C NMR chemical shifts.
    Rasul G; Olah GA; Prakash GK
    J Phys Chem A; 2006 Jun; 110(22):7197-201. PubMed ID: 16737271
    [TBL] [Abstract][Full Text] [Related]  

  • 29. 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]  

  • 30. Solvent Dependence of (14)N Nuclear Magnetic Resonance Chemical Shielding Constants as a Test of the Accuracy of the Computed Polarization of Solute Electron Densities by the Solvent.
    Ribeiro RF; Marenich AV; Cramer CJ; Truhlar DG
    J Chem Theory Comput; 2009 Sep; 5(9):2284-300. PubMed ID: 26616615
    [TBL] [Abstract][Full Text] [Related]  

  • 31. 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]  

  • 32. Vibrational spectra and theoretical calculations (dimerization, UV-Vis, multinuclear NMR and pes analyses) of 3,4-dimethylbenzamide and 3,4,5-trihydroxybenzamide.
    Muniappan P; Meenakshi R; Rajavel G; Arivazhagan M
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():739-53. PubMed ID: 24161844
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Molecular structure, vibrational spectra and DFT molecular orbital calculations (TD-DFT and NMR) of the antiproliferative drug Methotrexate.
    Ayyappan S; Sundaraganesan N; Aroulmoji V; Murano E; Sebastian S
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 77(1):264-75. PubMed ID: 20621610
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Nuclear magnetic resonance, vibrational spectroscopic studies, physico-chemical properties and computational calculations on (nitrophenyl) octahydroquinolindiones by DFT method.
    Pasha MA; Siddekha A; Mishra S; Azzam SH; Umapathy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():221-33. PubMed ID: 25440584
    [TBL] [Abstract][Full Text] [Related]  

  • 35. A theoretical and experimental study of the NMR spectra of 4,5,6,7-tetrafluorobenzazoles with special stress on PCM calculations of chemical shifts.
    Alkorta I; Elguero J; Pérez-Torralba M; López C; Claramunt RM
    Magn Reson Chem; 2015 May; 53(5):353-62. PubMed ID: 25615404
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Synthesis, spectroscopic characterization, X-ray structure and DFT studies on 2,6-bis(1-benzyl-1H-benzo[d]imidazol-2-yl)pyridine.
    İnkaya E; Günnaz S; Özdemir N; Dayan O; Dinçer M; Çetinkaya B
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Feb; 103():255-63. PubMed ID: 23261620
    [TBL] [Abstract][Full Text] [Related]  

  • 37. An NMR, IR and theoretical investigation of (1)H chemical shifts and hydrogen bonding in phenols.
    Abraham RJ; Mobli M
    Magn Reson Chem; 2007 Oct; 45(10):865-77. PubMed ID: 17729232
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Molecular structure, vibrational investigation of 2-chloro-α-α-α-trifluoro-3,5-dinitrotoluene using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) and UV-Vis absorption spectra in organic solvents: a IEF-PCM/TD-DFT study.
    Gayathri R; Arivazhagan M
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 123():309-26. PubMed ID: 24412784
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Theoretical studies of the solvent effect on the conformation of the HO-C-C-X (X = F, NH2, NO2) moiety with competing intra- and intermolecular hydrogen bonds.
    Nagy PI
    J Phys Chem A; 2012 Jul; 116(29):7726-41. PubMed ID: 22731938
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Assessment of long-range corrected and conventional DFT functional for the prediction of second--order NLO properties and other molecular properties of N-(2-cyanoethyl)-N-butylaniline--a vibrational spectroscopy study.
    Anitha K; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jul; 146():66-79. PubMed ID: 25813164
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.