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 *

153 related articles for article (PubMed ID: 20189449)

  • 1. An effective scaling frequency factor method for scaling of harmonic vibrational frequencies: Application to 1,2,4-triazole derivatives.
    Borowski P; Pilorz K; Pitucha M
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 May; 75(5):1470-5. PubMed ID: 20189449
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Application of the multi-parameter SQM harmonic force field, and ESFF harmonic frequencies scaling procedures to the determination of the vibrational spectra of silicon- and sulfur(II)-containing compounds.
    Borowski P; Ruiz TP; Barczak M; Pilorz K; Pasieczna-Patkowska S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():571-85. PubMed ID: 22153593
    [TBL] [Abstract][Full Text] [Related]  

  • 3. An evaluation of scaling factors for multiparameter scaling procedures based on DFT force fields.
    Borowski P
    J Phys Chem A; 2012 Apr; 116(15):3866-80. PubMed ID: 22372987
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment.
    Krishnakumar V; Prabavathi N
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(2):449-57. PubMed ID: 18282798
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical and experimental vibrational spectrum study of 4-hydroxybenzoic acid as monomer and dimer.
    Brandán SA; Márquez López F; Montejo M; López González JJ; Ben Altabef A
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 May; 75(5):1422-34. PubMed ID: 20223703
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Vibrational spectroscopy of the G...C base pair: experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings.
    Brauer B; Gerber RB; Kabelác M; Hobza P; Bakker JM; Abo Riziq AG; de Vries MS
    J Phys Chem A; 2005 Aug; 109(31):6974-84. PubMed ID: 16834057
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Structure and vibrational frequencies of 1-naphthaldehyde based on density functional theory calculations.
    Krishnakumar V; Prabavathi N; Muthunatesan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Feb; 69(2):528-33. PubMed ID: 17553736
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A scaled quantum mechanical approach of vibrational analysis of o-tolunitrile based on FTIR and FT Raman spectra, ab initio, Hartree Fock and DFT methods.
    Nagabalasubramanian PB; Periandy S; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1280-7. PubMed ID: 19875327
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Vibrational spectra, ab initio/DFT electronic structure calculations, and normal coordinate analysis of 2-bromo-5-fluorobenzaldehyde.
    Hiremath CS; Sundius T
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1260-7. PubMed ID: 19864179
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments.
    Krishnakumar V; Prabavathi N
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):154-61. PubMed ID: 19523872
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Scaled quantum chemical studies of the structure and vibrational spectra of 2-(methylthio) benzimidazole.
    Krishnakumar V; Ramasamy R
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Nov; 62(1-3):570-7. PubMed ID: 16257761
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Hydrogen bonding and molecular vibrations of 3,5-diamino-1,2,4-triazole.
    Kumar VK; Keresztury G; Sundius T; Xavier RJ
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan; 61(1-2):261-7. PubMed ID: 15556448
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Vibrational spectrum and assignments of 2-(4-methoxyphenyl)-1H-benzo[d]imidazole by ab initio Hartree-Fock and density functional methods.
    Arslan H; Algül O
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):109-16. PubMed ID: 17728175
    [TBL] [Abstract][Full Text] [Related]  

  • 15. FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study.
    Karabacak M; Karagöz D; Kurt M
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jun; 72(5):1076-83. PubMed ID: 19213598
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular and vibrational structure of 2-mercapto pyrimidine and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine: FT-IR, FT-Raman and quantum chemical calculations.
    Krishnakumar V; John Xavier R
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Feb; 63(2):454-63. PubMed ID: 15990356
    [TBL] [Abstract][Full Text] [Related]  

  • 17. s-trans-1,3-butadiene and isotopomers: vibrational spectra, scaled quantum-chemical force fields, fermi resonances, and C-H bond properties.
    McKean DC; Craig NC; Panchenko YN
    J Phys Chem A; 2006 Jul; 110(26):8044-59. PubMed ID: 16805490
    [TBL] [Abstract][Full Text] [Related]  

  • 18. DFT (LSDA, B3LYP and B3PW91) comparative vibrational spectroscopic analysis of alpha-acetonaphthone.
    Govindarajan M; Ganasan K; Periandy S; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jun; 76(1):12-21. PubMed ID: 20308014
    [TBL] [Abstract][Full Text] [Related]  

  • 19. FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study.
    Ramalingam S; Periandy S; Govindarajan M; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 May; 75(5):1552-8. PubMed ID: 20227335
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Inelastic neutron scattering spectra of free base and zinc porphines: a comparison with DFT-based vibrational analysis.
    Verdal N; Kozlowski PM; Hudson BS
    J Phys Chem A; 2005 Jun; 109(25):5724-33. PubMed ID: 16833905
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.