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 *

170 related articles for article (PubMed ID: 23020338)

  • 1. Ca2+ solvation as a function of p, T, and pH from ab initio simulation.
    Adeagbo WA; Doltsinis NL; Burchard M; Maresch WV; Fockenberg T
    J Chem Phys; 2012 Sep; 137(12):124502. PubMed ID: 23020338
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
    Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ
    J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Al3+, Ca2+, Mg2+, and Li+ in aqueous solution: calculated first-shell anharmonic OH vibrations at 300 K.
    Pejov L; Spångberg D; Hermansson K
    J Chem Phys; 2010 Nov; 133(17):174513. PubMed ID: 21054057
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Hydration of the calcium(II) ion in an aqueous solution of common anions (ClO4-, Cl-, Br-, and NO3-).
    Rudolph WW; Irmer G
    Dalton Trans; 2013 Mar; 42(11):3919-35. PubMed ID: 23334569
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Solvation of calcium ions in methanol-water mixtures: molecular dynamics simulation.
    Owczarek E; Rybicki M; Hawlicka E
    J Phys Chem B; 2007 Dec; 111(51):14271-8. PubMed ID: 18062680
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Hydration shell structure and dynamics of curium(III) in aqueous solution: first principles and empirical studies.
    Atta-Fynn R; Bylaska EJ; Schenter GK; de Jong WA
    J Phys Chem A; 2011 May; 115(18):4665-77. PubMed ID: 21500828
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Equatorial and apical solvent shells of the UO2 2+ ion.
    Nichols P; Bylaska EJ; Schenter GK; de Jong W
    J Chem Phys; 2008 Mar; 128(12):124507. PubMed ID: 18376943
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Hydration and coordination of K+ solvation in water from ab initio molecular-dynamics simulation.
    Liu Y; Lu H; Wu Y; Hu T; Li Q
    J Chem Phys; 2010 Mar; 132(12):124503. PubMed ID: 20370129
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structure and dynamics of Au+ ion in aqueous solution: ab initio QM/MM MD simulations.
    Armunanto R; Schwenk CF; Tran HT; Rode BM
    J Am Chem Soc; 2004 Mar; 126(8):2582-7. PubMed ID: 14982468
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Protonation of a hydroxide anion bridging two divalent magnesium cations in water probed by first-principles metadynamics simulation.
    Park JM; Boero M
    J Phys Chem B; 2010 Sep; 114(34):11102-9. PubMed ID: 20695500
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Characterization of structure and dynamics of an aqueous scandium(III) ion by an extended ab initio QM/MM molecular dynamics simulation.
    Vchirawongkwin V; Kritayakornupong C; Tongraar A; Rode BM
    Dalton Trans; 2012 Oct; 41(38):11889-97. PubMed ID: 22914797
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl(-) ions.
    Mallik BS; Semparithi A; Chandra A
    J Chem Phys; 2008 Nov; 129(19):194512. PubMed ID: 19026071
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Structure and dynamics of the hydration shells of the Al3+ ion.
    Bylaska EJ; Valiev M; Rustad JR; Weare JH
    J Chem Phys; 2007 Mar; 126(10):104505. PubMed ID: 17362073
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Temperature dependence of structure and dynamics of the hydrated Ca2+ ion according to ab initio quantum mechanical charge field and classical molecular dynamics.
    Lim LH; Pribil AB; Ellmerer AE; Randolf BR; Rode BM
    J Comput Chem; 2010 Apr; 31(6):1195-200. PubMed ID: 19847782
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A first principles molecular dynamics study of excess electron and lithium atom solvation in water-ammonia mixed clusters: structural, spectral, and dynamical behaviors of [(H2O)5NH3]- and Li(H2O)5NH3 at finite temperature.
    Pratihar S; Chandra A
    J Chem Phys; 2011 Jan; 134(3):034302. PubMed ID: 21261348
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution.
    Fatmi MQ; Hofer TS; Randolf BR; Rode BM
    J Comput Chem; 2007 Jul; 28(10):1704-10. PubMed ID: 17342715
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structure and dynamics of the chromate ion in aqueous solution. An ab initio QMCF-MD simulation.
    Hinteregger E; Pribil AB; Hofer TS; Randolf BR; Weiss AK; Rode BM
    Inorg Chem; 2010 Sep; 49(17):7964-8. PubMed ID: 20704361
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structure and dynamics of the Zr(4+) ion in water.
    Messner CB; Hofer TS; Randolf BR; Rode BM
    Phys Chem Chem Phys; 2011 Jan; 13(1):224-9. PubMed ID: 21103539
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Molecular simulation study of temperature effect on ionic hydration in carbon nanotubes.
    Shao Q; Huang L; Zhou J; Lu L; Zhang L; Lu X; Jiang S; Gubbins KE; Shen W
    Phys Chem Chem Phys; 2008 Apr; 10(14):1896-906. PubMed ID: 18368182
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Solvation structures of calcium and magnesium ions in water with the presence of hydroxide: a study by deep potential molecular dynamics.
    Liu J; Liu R; Cao Y; Chen M
    Phys Chem Chem Phys; 2023 Jan; 25(2):983-993. PubMed ID: 36519362
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.