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 *

252 related articles for article (PubMed ID: 23064549)

  • 1. Molecular geometry, vibrational spectra, atomic charges, frontier molecular orbital and Fukui function analysis of antiviral drug zidovudine.
    Ramkumaar GR; Srinivasan S; Bhoopathy TJ; Gunasekaran S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec; 99():189-95. PubMed ID: 23064549
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), NBO and HOMO-LUMO analysis of 2-quinoxaline carboxylic acid.
    Prabavathi N; Nilufer A; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():325-35. PubMed ID: 22446782
    [TBL] [Abstract][Full Text] [Related]  

  • 3. FT-IR, FT-Raman and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 1-(m-(trifluoromethyl)phenyl)piperazine.
    Prabavathi N; Nilufer A; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():483-93. PubMed ID: 24291424
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Experimental (FT-IR and FT-Raman), electronic structure and DFT studies on 1-methoxynaphthalene.
    Govindarajan M; Ganasan K; Periandy S; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):646-53. PubMed ID: 21530378
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation, conformational stability, NLO properties, HOMO-LUMO and NBO analysis of hydroxyquinoline derivatives by density functional theory calculations.
    Prabavathi N; Nilufer A; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():449-74. PubMed ID: 23792240
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Molecular structure, intramolecular hydrogen bonding and vibrational spectral investigation of 2-fluoro benzamide--a DFT approach.
    Krishnakumar V; Murugeswari K; Surumbarkuzhali N
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():410-20. PubMed ID: 23792236
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular structure, vibrational, UV, NMR, hyperpolarizability, NBO and HOMO-LUMO analysis of Pteridine2,4-dione.
    Prabavathi N; Nilufer A; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec; 99():292-302. PubMed ID: 23085999
    [TBL] [Abstract][Full Text] [Related]  

  • 8. FTIR, FT-Raman spectra and ab initio, DFT vibrational analysis of 2,4-dinitrophenylhydrazine.
    Sundaraganesan N; Ayyappan S; Umamaheswari H; Joshua BD
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jan; 66(1):17-27. PubMed ID: 16815087
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin.
    Prabavathi N; Nilufer A; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():101-13. PubMed ID: 23751224
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio, density functional computations, FT-IR, FT-Raman and molecular geometry of 4-morpholine carbonitrile.
    Xavier RJ; Raj SA
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Jan; 101():148-55. PubMed ID: 23099173
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Vibrational spectroscopy (FT-IR and FT-Raman) investigation, and hybrid computational (HF and DFT) analysis on the structure of 2,3-naphthalenediol.
    Shoba D; Periandy S; Karabacak M; Ramalingam S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):540-52. PubMed ID: 21943712
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Vibrational spectral analysis and first hyperpolarizability studies of 1-bromonaphthalene based on ab initio and DFT methods.
    Arivazhagan M; Rexalin DA
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):553-60. PubMed ID: 21958519
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene.
    Arunagiri C; Arivazhagan M; Subashini A
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1747-56. PubMed ID: 21680229
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2-chloro-4-nitrotoluene and 4-chloro-2-nitrotoluene.
    Krishnakumar V; Murugeswari K; Prabavathi N; Mathammal R
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():1-10. PubMed ID: 22343112
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.
    Krishnan AR; Saleem H; Subashchandrabose S; Sundaraganesan N; Sebastain S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):582-9. PubMed ID: 21190895
    [TBL] [Abstract][Full Text] [Related]  

  • 16. FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2-amino-5-chloropyridine.
    Sundaraganesan N; Ilakiamani S; Anand B; Saleem H; Joshua BD
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jun; 64(3):586-94. PubMed ID: 16387534
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Density functional theory, restricted Hartree-Fock simulations and FTIR, FT-Raman and UV-Vis spectroscopic studies on lamotrigine.
    Ramya T; Gunasekaran S; Ramkumaar GR
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():277-83. PubMed ID: 23774739
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Experimental (FT-IR, FT-Raman) and theoretical (HF and DFT) investigation and HOMO and LUMO analysis on the structure of p-fluoronitrobenzene.
    Udayakumar V; Periandy S; Karabacak M; Ramalingam S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):575-86. PubMed ID: 21955946
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The spectroscopic (FTIR, FT-Raman, NMR and UV), first-order hyperpolarizability and HOMO-LUMO analysis of methylboronic acid.
    Rani U; Karabacak M; Tanrıverdi O; Kurt M; Sundaraganesan N
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():67-77. PubMed ID: 22446752
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Rotational isomers, density functional theory, vibrational spectroscopic studies, thermodynamic functions, NBO and HOMO-LUMO analyses of 2,6-Bis(chloromethyl)pyridine.
    Balachandran V; Lalitha S; Rajeswari S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():1023-32. PubMed ID: 22925978
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.