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 *

190 related articles for article (PubMed ID: 20141194)

  • 1. Bond dissociation energies of organophosphorus compounds: an assessment of contemporary ab initio procedures.
    Hemelsoet K; Van Durme F; Van Speybroeck V; Reyniers MF; Waroquier M
    J Phys Chem A; 2010 Mar; 114(8):2864-73. PubMed ID: 20141194
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Bond dissociation enthalpies of large aromatic carbon-centered radicals.
    Hemelsoet K; Van Speybroeck V; Waroquier M
    J Phys Chem A; 2008 Dec; 112(51):13566-73. PubMed ID: 19053570
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Bond dissociation energies and radical stabilization energies: an assessment of contemporary theoretical procedures.
    Menon AS; Wood GP; Moran D; Radom L
    J Phys Chem A; 2007 Dec; 111(51):13638-44. PubMed ID: 18047305
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F): a surprising shortcoming of density functional theory.
    Izgorodina EI; Coote ML; Radom L
    J Phys Chem A; 2005 Aug; 109(33):7558-66. PubMed ID: 16834125
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies.
    Feng Y; Liu L; Wang JT; Huang H; Guo QX
    J Chem Inf Comput Sci; 2003; 43(6):2005-13. PubMed ID: 14632451
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions?
    Izgorodina EI; Brittain DR; Hodgson JL; Krenske EH; Lin CY; Namazian M; Coote ML
    J Phys Chem A; 2007 Oct; 111(42):10754-68. PubMed ID: 17887739
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Thermochemistry, bond energies, and internal rotor potentials of dimethyl tetraoxide.
    da Silva G; Bozzelli JW
    J Phys Chem A; 2007 Nov; 111(47):12026-36. PubMed ID: 17983209
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Assessment of the accuracy of density functionals for prediction of relative energies and geometries of low-lying isomers of water hexamers.
    Dahlke EE; Olson RM; Leverentz HR; Truhlar DG
    J Phys Chem A; 2008 May; 112(17):3976-84. PubMed ID: 18393474
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Enthalpies of formation, bond dissociation energies, and molecular structures of the n-aldehydes (acetaldehyde, propanal, butanal, pentanal, hexanal, and heptanal) and their radicals.
    da Silva G; Bozzelli JW
    J Phys Chem A; 2006 Dec; 110(48):13058-67. PubMed ID: 17134166
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Experimental and theoretical gas-phase acidities, bond dissociation energies, and heats of formation of HClO(x), x = 1-4.
    Meyer MM; Kass SR
    J Phys Chem A; 2010 Apr; 114(12):4086-92. PubMed ID: 20218593
    [TBL] [Abstract][Full Text] [Related]  

  • 11. BDE261: a comprehensive set of high-level theoretical bond dissociation enthalpies.
    Chan B; Radom L
    J Phys Chem A; 2012 May; 116(20):4975-86. PubMed ID: 22587308
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Accurate bond dissociation enthalpies by using doubly hybrid XYG3 functional.
    Zhang IY; Wu J; Luo Y; Xu X
    J Comput Chem; 2011 Jul; 32(9):1824-38. PubMed ID: 21455960
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Theoretical approaches to estimating homolytic bond dissociation energies of organocopper and organosilver compounds.
    Rijs NJ; Brookes NJ; O'Hair RA; Yates BF
    J Phys Chem A; 2012 Sep; 116(35):8910-7. PubMed ID: 22924458
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Bond dissociation energies in second-row compounds.
    Grant DJ; Matus MH; Switzer JR; Dixon DA; Francisco JS; Christe KO
    J Phys Chem A; 2008 Apr; 112(14):3145-56. PubMed ID: 18351757
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Thermodynamic properties (enthalpy, bond energy, entropy, and heat capacity) and internal rotor potentials of vinyl alcohol, methyl vinyl ether, and their corresponding radicals.
    da Silva G; Kim CH; Bozzelli JW
    J Phys Chem A; 2006 Jun; 110(25):7925-34. PubMed ID: 16789782
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Hydrocarbon bond dissociation enthalpies: from substituted aromatics to large polyaromatics.
    Van Speybroeck V; Marin GB; Waroquier M
    Chemphyschem; 2006 Oct; 7(10):2205-14. PubMed ID: 16989009
    [TBL] [Abstract][Full Text] [Related]  

  • 17. An assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzene.
    Hemelsoet K; Moran D; Van Speybroeck V; Waroquier M; Radom L
    J Phys Chem A; 2006 Jul; 110(28):8942-51. PubMed ID: 16836458
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Unrestricted prescriptions for open-shell singlet diradicals: using economical ab initio and density functional theory to calculate singlet-triplet gaps and bond dissociation curves.
    Ess DH; Cook TC
    J Phys Chem A; 2012 May; 116(20):4922-9. PubMed ID: 22578025
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Thermochemistry of bithiophenes and thienyl radicals. A calorimetric and computational study.
    Ribeiro da Silva MA; Santos AF; Gomes JR; Roux MV; Temprado M; Jiménez P; Notario R
    J Phys Chem A; 2009 Oct; 113(41):11042-50. PubMed ID: 19772333
    [TBL] [Abstract][Full Text] [Related]  

  • 20. BAC-MP4 predictions of thermochemistry for gas-phase antimony compounds in the Sb-H-C-O-Cl system.
    Skulan AJ; Nielsen IM; Melius CF; Allendorf MD
    J Phys Chem A; 2006 May; 110(17):5919-28. PubMed ID: 16640390
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.