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 *

158 related articles for article (PubMed ID: 27250288)

  • 1. Intermediate vibrational coordinate localization with harmonic coupling constraints.
    Hanson-Heine MW
    J Chem Phys; 2016 May; 144(20):204116. PubMed ID: 27250288
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Tuning vibrational mode localization with frequency windowing.
    Cheng X; Talbot JJ; Steele RP
    J Chem Phys; 2016 Sep; 145(12):124112. PubMed ID: 27782624
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Optimized coordinates for anharmonic vibrational structure theories.
    Yagi K; Keçeli M; Hirata S
    J Chem Phys; 2012 Nov; 137(20):204118. PubMed ID: 23205992
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Exploring the relationship between vibrational mode locality and coupling using constrained optimization.
    Molina A; Smereka P; Zimmerman PM
    J Chem Phys; 2016 Mar; 144(12):124111. PubMed ID: 27036431
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates.
    Hanson-Heine MW
    J Chem Phys; 2015 Oct; 143(16):164104. PubMed ID: 26520495
    [TBL] [Abstract][Full Text] [Related]  

  • 6. On the choice of coordinates in anharmonic theoretical vibrational spectroscopy: Harmonic vs. anharmonic coupling in vibrational configuration interaction.
    Panek PT; Hoeske AA; Jacob CR
    J Chem Phys; 2019 Feb; 150(5):054107. PubMed ID: 30736699
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Optimizing Vibrational Coordinates To Modulate Intermode Coupling.
    Zimmerman PM; Smereka P
    J Chem Theory Comput; 2016 Apr; 12(4):1883-91. PubMed ID: 26914536
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Determining internal coordinate sets for optimal representation of molecular vibration.
    Oenen K; Dinu DF; Liedl KR
    J Chem Phys; 2024 Jan; 160(1):. PubMed ID: 38180253
    [TBL] [Abstract][Full Text] [Related]  

  • 9. On the benefits of localized modes in anharmonic vibrational calculations for small molecules.
    Panek PT; Jacob CR
    J Chem Phys; 2016 Apr; 144(16):164111. PubMed ID: 27131535
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Anharmonic calculation of the structure, vibrational frequencies and intensities of the NH3···trans-HONO complex.
    Bulychev VP; Buturlimova MV; Tokhadze KG
    J Phys Chem A; 2013 Sep; 117(37):9093-8. PubMed ID: 23944642
    [TBL] [Abstract][Full Text] [Related]  

  • 12. FALCON: A method for flexible adaptation of local coordinates of nuclei.
    König C; Hansen MB; Godtliebsen IH; Christiansen O
    J Chem Phys; 2016 Feb; 144(7):074108. PubMed ID: 26896977
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Vibrational spectrum of katoite Ca3Al2[(OH)4]3: a periodic ab initio study.
    Orlando R; Torres FJ; Pascale F; Ugliengo P; Zicovich-Wilson C; Dovesi R
    J Phys Chem B; 2006 Jan; 110(2):692-701. PubMed ID: 16471590
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Rapid anharmonic vibrational corrections derived from partial Hessian analysis.
    Hanson-Heine MW; George MW; Besley NA
    J Chem Phys; 2012 Jun; 136(22):224102. PubMed ID: 22713031
    [TBL] [Abstract][Full Text] [Related]  

  • 15. QM/MM vibrational mode tracking.
    Herrmann C; Neugebauer J; Reiher M
    J Comput Chem; 2008 Nov; 29(14):2460-70. PubMed ID: 18470972
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Vibrational spectroscopy of protonated imidazole and its complexes with water molecules: ab initio anharmonic calculations and experiments.
    Adesokan AA; Chaban GM; Dopfer O; Gerber RB
    J Phys Chem A; 2007 Aug; 111(31):7374-81. PubMed ID: 17500546
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinates.
    Cheng X; Steele RP
    J Chem Phys; 2014 Sep; 141(10):104105. PubMed ID: 25217902
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Efficient calculation of anharmonic vibrational spectra of large molecules with localized modes.
    Panek PT; Jacob CR
    Chemphyschem; 2014 Oct; 15(15):3365-77. PubMed ID: 25080397
    [TBL] [Abstract][Full Text] [Related]  

  • 19. MP4 Study of the Anharmonic Coupling of the Shared Proton Stretching Vibration of the Protonated Water Dimer in Equilibrium and Transition States.
    Pitsevich G; Malevich A; Kozlovskaya E; Mahnach E; Doroshenko I; Pogorelov V; Pettersson LG; Sablinskas V; Balevicius V
    J Phys Chem A; 2017 Mar; 121(10):2151-2165. PubMed ID: 28187260
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 8.