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 *

604 related articles for article (PubMed ID: 22074882)

  • 21. Spectroscopic (FTIR and FT Raman) analysis and vibrational study on 2,3-dimethyl naphthalene using ab-initio HF and DFT calculations.
    Prabhu T; Periandy S; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):566-74. PubMed ID: 21185771
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Molecular structure (monomeric and dimeric structure) and HOMO-LUMO analysis of 2-aminonicotinic acid: a comparison of calculated spectroscopic properties with FT-IR and UV-vis.
    Karabacak M; Kose E; Atac A
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():83-96. PubMed ID: 22366618
    [TBL] [Abstract][Full Text] [Related]  

  • 23. FT-IR and FT-Raman spectral investigation, computed IR intensity and Raman activity analysis and frequency estimation analysis on 4-chloro-2-bromoacetophenone using HF and DFT calculations.
    Ramalingam S; Anbusrinivasan P; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):826-34. PubMed ID: 21216662
    [TBL] [Abstract][Full Text] [Related]  

  • 24. FT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene.
    Mahadevan D; Periandy S; Ramalingam S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):962-9. PubMed ID: 21561799
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. 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]  

  • 27. Vibrational investigation on FT-IR and FT-Raman spectra, IR intensity, Raman activity, peak resemblance, ideal estimation, standard deviation of computed frequencies analyses and electronic structure on 3-methyl-1,2-butadiene using HF and DFT (LSDA/B3LYP/B3PW91) calculations.
    Ramalingam S; Jayaprakash A; Mohan S; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):79-90. PubMed ID: 21813316
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Vibrational spectroscopic, electronic and quantum chemical investigations on 2,3-hexadiene.
    Jayaprakash A; Arjunan V; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct; 81(1):620-30. PubMed ID: 21763179
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods.
    Rajamani T; Muthu S; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():186-96. PubMed ID: 23474478
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.
    Saravanan S; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():604-20. PubMed ID: 24813291
    [TBL] [Abstract][Full Text] [Related]  

  • 31. 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]  

  • 32. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
    Sebastian S; Sundaraganesan N; Karthikeiyan B; Srinivasan V
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):590-600. PubMed ID: 21195659
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP) calculations on the structure of 3-Bromo phenol.
    Mahadevan D; Periandy S; Ramalingam S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):575-81. PubMed ID: 21185772
    [TBL] [Abstract][Full Text] [Related]  

  • 34. DFT simulations and vibrational analysis of FT-IR and FT-Raman spectra of 2,4-diamino-6-hydroxypyrimidine.
    Subramanian MK; Anbarasan PM; Manimegalai S
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug; 73(4):642-9. PubMed ID: 19406685
    [TBL] [Abstract][Full Text] [Related]  

  • 35. 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; 91():411-8. PubMed ID: 22402481
    [TBL] [Abstract][Full Text] [Related]  

  • 36. 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; 79(3):562-9. PubMed ID: 21501967
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Vibrational spectroscopic [FT-IR, FT-Raman] investigation on (2,4,5-Trichlorophenoxy) Acetic acid using computational [HF and DFT] analysis.
    Karthikeyan N; Joseph Prince J; Ramalingam S; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():165-77. PubMed ID: 24486865
    [TBL] [Abstract][Full Text] [Related]  

  • 38. 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]  

  • 39. 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]  

  • 40. Vibrational investigation, molecular orbital studies and molecular electrostatic potential map analysis on 3-chlorobenzoic acid using hybrid computational calculations.
    Ramalingam S; Babu PD; Periandy S; Fereyduni E
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 84(1):210-20. PubMed ID: 21993254
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 31.