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 *

374 related articles for article (PubMed ID: 18821785)

  • 1. First-principles-based calculations of vibrational normal modes in polyatomic materials with translational symmetry: application to PETN molecular crystal.
    Velizhanin KA; Kilina S; Sewell TD; Piryatinski A
    J Phys Chem B; 2008 Oct; 112(42):13252-7. PubMed ID: 18821785
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Theoretical analysis of the terahertz spectrum of the high explosive PETN.
    Allis DG; Korter TM
    Chemphyschem; 2006 Nov; 7(11):2398-408. PubMed ID: 17042039
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Isotope effects in the vibrational lifetime of hydrogen on germanium(100): theory and experiment.
    Sakong S; Kratzer P; Han X; Balgar T; Hasselbrink E
    J Chem Phys; 2009 Sep; 131(12):124502. PubMed ID: 19791889
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. 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]  

  • 6. 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]  

  • 7. Shock-induced melting of (100)-oriented nitromethane: Energy partitioning and vibrational mode heating.
    Dawes R; Siavosh-Haghighi A; Sewell TD; Thompson DL
    J Chem Phys; 2009 Dec; 131(22):224513. PubMed ID: 20001063
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Density-functional theory study of vibrational relaxation of CO stretching excitation on Si(100).
    Sakong S; Kratzer P; Han X; Lass K; Weingart O; Hasselbrink E
    J Chem Phys; 2008 Nov; 129(17):174702. PubMed ID: 19045365
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical studies of energy transfer rates of secondary explosives.
    Ye S; Koshi M
    J Phys Chem B; 2006 Sep; 110(37):18515-20. PubMed ID: 16970479
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A Jacobi-Wilson description coupled to a block-Davidson algorithm: an efficient scheme to calculate highly excited vibrational levels.
    Ribeiro F; Iung C; Leforestier C
    J Chem Phys; 2005 Aug; 123(5):054106. PubMed ID: 16108630
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Anharmonic vibrational properties of explosives from temperature-dependent Raman.
    McGrane SD; Barber J; Quenneville J
    J Phys Chem A; 2005 Nov; 109(44):9919-27. PubMed ID: 16838908
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Semiclassical treatments for small-molecule dynamics in low-temperature crystals using fixed and adiabatic vibrational bases.
    Chapman CT; Cina JA
    J Chem Phys; 2007 Sep; 127(11):114502. PubMed ID: 17887852
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Electronic and vibrational properties of nickel sulfides from first principles.
    Wang JH; Cheng Z; Brédas JL; Liu M
    J Chem Phys; 2007 Dec; 127(21):214705. PubMed ID: 18067373
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Free Energy Based Equation of State for Pentaerythritol Tetranitrate.
    Cawkwell MJ; Montgomery DS; Ramos KJ; Bolme CA
    J Phys Chem A; 2017 Jan; 121(1):238-243. PubMed ID: 27997195
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Guanine crystals: a first principles study.
    Ortmann F; Hannewald K; Bechstedt F
    J Phys Chem B; 2008 Feb; 112(5):1540-8. PubMed ID: 18197657
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Spectroscopic and ab initio characterization of the [ReH9]2- ion.
    Parker SF; Refson K; Williams KP; Braden DA; Hudson BS; Yvon K
    Inorg Chem; 2006 Dec; 45(26):10951-7. PubMed ID: 17173454
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Vibrational spectroscopic investigations, ab initio and DFT studies on 7-bromo-5-chloro-8-hydroxyquinoline.
    Arjunan V; Mohan S; Ravindran P; Mythili CV
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 May; 72(4):783-8. PubMed ID: 19112045
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Terahertz normal mode relaxation in pentaerythritol tetranitrate.
    Pereverzev A; Sewell TD
    J Chem Phys; 2011 Jan; 134(1):014513. PubMed ID: 21219013
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Calculation of anharmonic OH phonon dispersion curves for the Mg(OH)2 crystal.
    Mitev PD; Hermansson K; Briels WJ
    J Chem Phys; 2010 Jul; 133(3):034120. PubMed ID: 20649321
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Energy transfer between polyatomic molecules II: Energy transfer quantities and probability density functions in benzene, toluene, p-xylene, and azulene collisions.
    Bernshtein V; Oref I
    J Phys Chem A; 2006 Feb; 110(4):1541-51. PubMed ID: 16435815
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 19.