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.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

339 related items for PubMed ID: 22343112

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene.
    Govindarajan M, Karabacak M, Suvitha A, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Apr; 89():137-48. PubMed ID: 22261102
    [Abstract] [Full Text] [Related]

  • 3. Density functional theory, comparative vibrational spectroscopic studies, HOMO-LUMO, first hyperpolarizability analyses of 2-fluoro 5-nitrotoluene and 2-bromo 5-nitrotoluene.
    Krishnakumar V, Sangeetha R, Mathammal R, Barathi D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():77-86. PubMed ID: 23266679
    [Abstract] [Full Text] [Related]

  • 4. Scaled quantum chemical calculations and FTIR, FT-Raman spectral analysis of 2-Methylpyrazine.
    Krishnakumar V, Prabavathi N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 May; 72(4):743-7. PubMed ID: 19121975
    [Abstract] [Full Text] [Related]

  • 5. Structures and vibrational frequencies of 2-naphthoic acid and 6-bromo-2-naphthoic acid based on density functional theory calculations.
    Krishnakumar V, Mathammal R, Muthunatesan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):201-9. PubMed ID: 17822949
    [Abstract] [Full Text] [Related]

  • 6. Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2,3,4,5,6-penta bromo toluene and bromo durene based on density functional calculations.
    Krishna Kumar V, Suganya S, Mathammal R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May 05; 125():201-10. PubMed ID: 24556128
    [Abstract] [Full Text] [Related]

  • 7. Molecular structure, spectroscopic studies (FTIR, FT-Raman and NMR) and HOMO-LUMO analysis of 6-chloro-o-cresol and 4-chloro-3-methyl phenol by density functional theoretical study.
    Krishnakumar V, Kumar M, Prabavathi N, Mathammal R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 05; 97():144-54. PubMed ID: 22750683
    [Abstract] [Full Text] [Related]

  • 8. Analysis of vibrational spectra of 1-chloro-2,4-dinitrobenzene based on density functional theory calculations.
    Krishnakumar V, Prabavathi N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 May 05; 72(4):738-42. PubMed ID: 19124269
    [Abstract] [Full Text] [Related]

  • 9. FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations.
    Ramalingam S, Periandy S, Elanchezhian B, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan 05; 78(1):429-36. PubMed ID: 21146451
    [Abstract] [Full Text] [Related]

  • 10. Vibrational study, first hyperpolarizability and HOMO-LUMO analyses on the structure of 2-hydroxy-6-nitro toluene.
    Arivazhagan M, Thilagavathi G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun 05; 91():411-8. PubMed ID: 22402481
    [Abstract] [Full Text] [Related]

  • 11. FTIR and FTRaman spectra, assignments, ab initio HF and DFT analysis of 4-nitrotoluene.
    Ramalingam S, Periandy S, Govindarajan M, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Apr 05; 75(4):1308-14. PubMed ID: 20133182
    [Abstract] [Full Text] [Related]

  • 12. 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 05; 79(5):1747-56. PubMed ID: 21680229
    [Abstract] [Full Text] [Related]

  • 13. Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of succinimide and N-bromosuccinimide.
    Krishnakumar V, Xavier RJ, Chithambarathanu T.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec 05; 62(4-5):931-9. PubMed ID: 15950535
    [Abstract] [Full Text] [Related]

  • 14.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 15.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 16. 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 05; 79(3):646-53. PubMed ID: 21530378
    [Abstract] [Full Text] [Related]

  • 17. DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine.
    Balachandran V, Mahalakshmi G, Lakshmi A, Janaki A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 05; 97():1101-10. PubMed ID: 22929905
    [Abstract] [Full Text] [Related]

  • 18. Molecular structure and vibrational spectra of 3-and 4-amino-2-bromopyridine by density functional methods.
    Kandasamy M, Velraj G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun 05; 91():206-16. PubMed ID: 22381792
    [Abstract] [Full Text] [Related]

  • 19. FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of butylated hydroxy toluene.
    Babu PC, Sundaraganesan N, Dereli Ö, Türkkan E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug 05; 79(3):562-9. PubMed ID: 21501967
    [Abstract] [Full Text] [Related]

  • 20. Theoretical investigations of α,α,α-trifluoro-3, -p and o-nitrotoluene by means of density functional theory.
    Yildirim G, Senol SD, Dogruer M, Ozturk O, Senol A, Tasci AT, Terzioglu C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan 05; 85(1):271-82. PubMed ID: 22036315
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 17.