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 *

80 related articles for article (PubMed ID: 20969375)

  • 1. Hindered rotor models with variable kinetic functions for accurate thermodynamic and kinetic predictions.
    Reinisch G; Leyssale JM; Vignoles GL
    J Chem Phys; 2010 Oct; 133(15):154112. PubMed ID: 20969375
    [TBL] [Abstract][Full Text] [Related]  

  • 2. An extended hindered-rotor model with incorporation of Coriolis and vibrational-rotational coupling for calculating partition functions and derived quantities.
    Vansteenkiste P; Van Neck D; Van Speybroeck V; Waroquier M
    J Chem Phys; 2006 Jan; 124(4):044314. PubMed ID: 16460169
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Level distributions, partition functions, and rates of chirality changing processes for the torsional mode around O-O bonds.
    Bitencourt AC; Ragni M; Maciel GS; Aquilanti V; Prudente FV
    J Chem Phys; 2008 Oct; 129(15):154316. PubMed ID: 19045202
    [TBL] [Abstract][Full Text] [Related]  

  • 4. How Accurate Are Approximate Methods for Evaluating Partition Functions for Hindered Internal Rotations?
    Lin CY; Izgorodina EI; Coote ML
    J Phys Chem A; 2008 Mar; 112(9):1956-1964. PubMed ID: 18260658
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Simulations of the large kinetic isotope effect and the temperature dependence of the hydrogen atom transfer in lipoxygenase.
    Olsson MH; Siegbahn PE; Warshel A
    J Am Chem Soc; 2004 Mar; 126(9):2820-8. PubMed ID: 14995199
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Matrix-free application of Hamiltonian operators in Coifman wavelet bases.
    Acevedo R; Lombardini R; Johnson BR
    J Chem Phys; 2010 Jun; 132(24):244112. PubMed ID: 20590186
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A restricted quantum reaction path Hamiltonian: theory, discrete variable representation propagation algorithm, and applications.
    González J; Giménez X; Bofill JM
    J Chem Phys; 2009 Aug; 131(5):054108. PubMed ID: 19673552
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Accurate inertias for large-amplitude motions: improvements on prevailing approximations.
    Wong BM; Thom RL; Field RW
    J Phys Chem A; 2006 Jun; 110(23):7406-13. PubMed ID: 16759129
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Photoelectron spectra of Ar(n).(IHI)- (n = 0-6, 12, 20), a theoretical study.
    López JG; McCoy AB
    J Phys Chem A; 2006 Apr; 110(16):5450-7. PubMed ID: 16623474
    [TBL] [Abstract][Full Text] [Related]  

  • 10. An accurate and simple quantum model for liquid water.
    Paesani F; Zhang W; Case DA; Cheatham TE; Voth GA
    J Chem Phys; 2006 Nov; 125(18):184507. PubMed ID: 17115765
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Analysis of kinetic isotope effects for nonadiabatic reactions.
    Kim H; Hanna G; Kapral R
    J Chem Phys; 2006 Aug; 125(8):084509. PubMed ID: 16965031
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Redistributed charge and dipole schemes for combined quantum mechanical and molecular mechanical calculations.
    Lin H; Truhlar DG
    J Phys Chem A; 2005 May; 109(17):3991-4004. PubMed ID: 16833721
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Strange Kinetics of the C(2)H(6) + CN Reaction Explained.
    Georgievskii Y; Klippenstein SJ
    J Phys Chem A; 2007 May; 111(19):3802-11. PubMed ID: 17388379
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations.
    Hnizdo V; Fedorowicz A; Singh H; Demchuk E
    J Comput Chem; 2003 Jul; 24(10):1172-83. PubMed ID: 12820124
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Improvement of semiempirical response properties with charge-dependent response density.
    Giese TJ; York DM
    J Chem Phys; 2005 Oct; 123(16):164108. PubMed ID: 16268682
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Path integral evaluation of equilibrium isotope effects.
    Zimmermann T; Vanícek J
    J Chem Phys; 2009 Jul; 131(2):024111. PubMed ID: 19603974
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Investigation of the dynamics of two coupled oscillators with mixed quantum-classical methods.
    Li J; Woywod C; Vallet V; Meier C
    J Chem Phys; 2006 May; 124(18):184105. PubMed ID: 16709095
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Quantum-instanton evaluation of the kinetic isotope effects.
    Vanícek J; Miller WH; Castillo JF; Aoiz FJ
    J Chem Phys; 2005 Aug; 123(5):054108. PubMed ID: 16108632
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: application to the intramolecular hydrogen transfer in pentadiene.
    Vanícek J; Miller WH
    J Chem Phys; 2007 Sep; 127(11):114309. PubMed ID: 17887839
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Use of electrochemical transient techniques to obtain thermodynamic and kinetic data on aqueous Fe(III)-1,6-dimethyl-4-hydroxy-3-pyridinecarboxylate and Fe(III)-4-hydroxy-2-methyl-3-pyridinecarboxylate complexes.
    Badocco D; Marcon M; Mondin A; Dean A; Di Marco VB; Pastore P
    Dalton Trans; 2009 Apr; (13):2415-22. PubMed ID: 19290376
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 4.