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 *

163 related articles for article (PubMed ID: 16829171)

  • 1. Hydrogen bonding effects on infrared and Raman spectra of drug molecules.
    Bondesson L; Mikkelsen KV; Luo Y; Garberg P; Agren H
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Feb; 66(2):213-24. PubMed ID: 16829171
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Vibrational spectra of alpha-amino acids in the zwitterionic state in aqueous solution and the solid state: DFT calculations and the influence of hydrogen bonding.
    Chowdhry BZ; Dines TJ; Jabeen S; Withnall R
    J Phys Chem A; 2008 Oct; 112(41):10333-47. PubMed ID: 18816033
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.
    Stare J; Panek J; Eckert J; Grdadolnik J; Mavri J; Hadzi D
    J Phys Chem A; 2008 Feb; 112(7):1576-86. PubMed ID: 18225869
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A linear scaling study of solvent-solute interaction energy of drug molecules in aqua solution.
    Bondesson L; Rudberg E; Luo Y; Sałek P
    J Phys Chem B; 2007 Aug; 111(34):10320-8. PubMed ID: 17676891
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical study of the infrared and Raman line shapes of liquid methanol.
    Zheng R; Sun Y; Shi Q
    Phys Chem Chem Phys; 2011 Feb; 13(6):2027-35. PubMed ID: 21063605
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Infrared and vibrational CD spectra of partially solvated alpha-helices: DFT-based simulations with explicit solvent.
    Turner DR; Kubelka J
    J Phys Chem B; 2007 Feb; 111(7):1834-45. PubMed ID: 17256894
    [TBL] [Abstract][Full Text] [Related]  

  • 7. FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations.
    Subramanian MK; Anbarasan PM; Ilangovan V; Babu SM
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):59-67. PubMed ID: 18178129
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree-Fock and density functional theory calculations.
    Ucun F; Sağlam A; Güçlü V
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun; 67(2):342-9. PubMed ID: 16942910
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations.
    Hiremath CS; Kalkoti GB; Aralakkanavar MK
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):200-4. PubMed ID: 19560961
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study.
    Sebastian S; Sundaraganesan N; Manoharan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(2):312-23. PubMed ID: 19581124
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Comparison of experimental and density functional study on the molecular structure, infrared and Raman spectra and vibrational assignments of 6-chloronicotinic acid.
    Karabacak M; Kurt M
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(3):876-83. PubMed ID: 18358772
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Chirality transfer through hydrogen-bonding: experimental and ab initio analyses of vibrational circular dichroism spectra of methyl lactate in water.
    Losada M; Xu Y
    Phys Chem Chem Phys; 2007 Jun; 9(24):3127-35. PubMed ID: 17612736
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Vibrational spectra of anhydrous and monohydrated caffeine and theophylline molecules and crystals.
    Balbuena PB; Blocker W; Dudek RM; Cabrales-Navarro FA; Hirunsit P
    J Phys Chem A; 2008 Oct; 112(41):10210-9. PubMed ID: 18816035
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Electronic g-tensors of solvated molecules using the polarizable continuum model.
    Rinkevicius Z; Telyatnyk L; Vahtras O; Ruud K
    J Chem Phys; 2004 Sep; 121(11):5051-60. PubMed ID: 15352795
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Computationally-assisted approach to the vibrational spectra of molecular crystals: study of hydrogen-bonding and pseudo-polymorphism.
    Nolasco MM; Amado AM; Ribeiro-Claro PJ
    Chemphyschem; 2006 Oct; 7(10):2150-61. PubMed ID: 16983716
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Lactic acid in solution: investigations of lactic acid self-aggregation and hydrogen bonding interactions with water and methanol using vibrational absorption and vibrational circular dichroism spectroscopies.
    Losada M; Tran H; Xu Y
    J Chem Phys; 2008 Jan; 128(1):014508. PubMed ID: 18190205
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The pH dependent Raman spectroscopic study of caffeine.
    Kang J; Gu H; Zhong L; Hu Y; Liu F
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):757-62. PubMed ID: 21208825
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions.
    Danecek P; Kapitán J; Baumruk V; Bednárová L; Kopecký V; Bour P
    J Chem Phys; 2007 Jun; 126(22):224513. PubMed ID: 17581069
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Vibrational spectra of cysteine zwitterion and mechanism of its formation: bulk and specific solvent effects and geometry optimization in aqueous media.
    Tiwari S; Mishra PC
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug; 73(4):719-29. PubMed ID: 19386537
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Triethylsilanol: molecular conformations and role of the hydrogen-bonding oligomerization in its vibrational spectra.
    Montejo M; Partal Ureña F; Márquez F; López González JJ
    J Phys Chem A; 2008 Feb; 112(7):1545-51. PubMed ID: 18229903
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.