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 *

121 related articles for article (PubMed ID: 30307226)

  • 1. Experimental validation of calculated atomic charges in ionic liquids.
    Fogarty RM; Matthews RP; Ashworth CR; Brandt-Talbot A; Palgrave RG; Bourne RA; Vander Hoogerstraete T; Hunt PA; Lovelock KRJ
    J Chem Phys; 2018 May; 148(19):193817. PubMed ID: 30307226
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Atomic charges of sulfur in ionic liquids: experiments and calculations.
    Fogarty RM; Rowe R; Matthews RP; Clough MT; Ashworth CR; Brandt A; Corbett PJ; Palgrave RG; Smith EF; Bourne RA; Chamberlain TW; Thompson PBJ; Hunt PA; Lovelock KRJ
    Faraday Discuss; 2017 Dec; 206():183-201. PubMed ID: 29068464
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Assessment of atomic partial charge schemes for polarisation and charge transfer effects in ionic liquids.
    Rigby J; Izgorodina EI
    Phys Chem Chem Phys; 2013 Feb; 15(5):1632-46. PubMed ID: 23247883
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Interactions of ionic liquids and water.
    Ficke LE; Brennecke JF
    J Phys Chem B; 2010 Aug; 114(32):10496-501. PubMed ID: 20701381
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A simple AIMD approach to derive atomic charges for condensed phase simulation of ionic liquids.
    Zhang Y; Maginn EJ
    J Phys Chem B; 2012 Aug; 116(33):10036-48. PubMed ID: 22852554
    [TBL] [Abstract][Full Text] [Related]  

  • 6. NEXAFS spectroscopy of ionic liquids: experiments versus calculations.
    Fogarty RM; Matthews RP; Clough MT; Ashworth CR; Brandt-Talbot A; Corbett PJ; Palgrave RG; Bourne RA; Chamberlain TW; Vander Hoogerstraete T; Thompson PBJ; Hunt PA; Besley NA; Lovelock KRJ
    Phys Chem Chem Phys; 2017 Nov; 19(46):31156-31167. PubMed ID: 29139509
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Hydration Free Energies of Multifunctional Nitroaromatic Compounds.
    Ahmed A; Sandler SI
    J Chem Theory Comput; 2013 Jun; 9(6):2774-85. PubMed ID: 26583868
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Atomic Charges.
    Wiberg KB; Rablen PR
    J Org Chem; 2018 Dec; 83(24):15463-15469. PubMed ID: 30474977
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Partial Atomic Charges and Screened Charge Models of the Electrostatic Potential.
    Wang B; Truhlar DG
    J Chem Theory Comput; 2012 Jun; 8(6):1989-98. PubMed ID: 26593833
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Using Molecular Simulation to Study Biocatalysis in Ionic Liquids.
    Sprenger KG; Pfaendtner J
    Methods Enzymol; 2016; 577():419-41. PubMed ID: 27498647
    [TBL] [Abstract][Full Text] [Related]  

  • 11. An Extended Charge Equilibration Method.
    Wilmer CE; Kim KC; Snurr RQ
    J Phys Chem Lett; 2012 Sep; 3(17):2506-11. PubMed ID: 26292141
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes.
    Wang B; Li SL; Truhlar DG
    J Chem Theory Comput; 2014 Dec; 10(12):5640-50. PubMed ID: 26583247
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Modeling of molecular charge distribution on the basis of experimental infrared intensities and first-principles calculations: the case of CH bonds.
    Milani A; Castiglioni C
    J Phys Chem A; 2010 Jan; 114(1):624-32. PubMed ID: 19888738
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Correlation between Soft X-ray Absorption and Emission Spectra of the Nitrogen Atoms within Imidazolium-Based Ionic Liquids.
    Horikawa Y; Tokushima T; Takahashi O; Hoke H; Takamuku T
    J Phys Chem B; 2016 Aug; 120(30):7480-7. PubMed ID: 27388151
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theoretical study on charge distribution in cetylpyridinium cationic surfactant.
    Fizer M; Fizer O
    J Mol Model; 2021 Jun; 27(7):203. PubMed ID: 34132886
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Probing the electronic structure of ether functionalised ionic liquids using X-ray photoelectron spectroscopy.
    Dick EJ; Fouda AEA; Besley NA; Licence P
    Phys Chem Chem Phys; 2020 Jan; 22(3):1624-1631. PubMed ID: 31894776
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Molecular simulation of guanidinium-based ionic liquids.
    Liu X; Zhou G; Zhang S; Wu G; Yu G
    J Phys Chem B; 2007 May; 111(20):5658-68. PubMed ID: 17469867
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Atomic polarizations necessary for coherent infrared intensity modeling with theoretical calculations.
    Richter WE; Silva AF; Bruns RE
    J Chem Phys; 2017 Apr; 146(13):134107. PubMed ID: 28390371
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Atomic charges derived from electrostatic potentials for molecular and periodic systems.
    Chen DL; Stern AC; Space B; Johnson JK
    J Phys Chem A; 2010 Sep; 114(37):10225-33. PubMed ID: 20795694
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Benchmark of different charges for prediction of the partitioning coefficient through the hydrophilic/lipophilic index.
    Fizer O; Fizer M; Sidey V; Studenyak Y; Mariychuk R
    J Mol Model; 2018 May; 24(6):141. PubMed ID: 29855716
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.