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 *

112 related articles for article (PubMed ID: 20210343)

  • 21. Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.
    Lu YX; Zou JW; Fan JC; Zhao WN; Jiang YJ; Yu QS
    J Comput Chem; 2009 Apr; 30(5):725-32. PubMed ID: 18727160
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Accurate theoretical chemistry with coupled pair models.
    Neese F; Hansen A; Wennmohs F; Grimme S
    Acc Chem Res; 2009 May; 42(5):641-8. PubMed ID: 19296607
    [TBL] [Abstract][Full Text] [Related]  

  • 23. On the dissolution processes of Na2I+ and Na3I2+ with the association of water molecules: mechanistic and energetic details.
    Zhang Q; Carpenter CJ; Kemper PR; Bowers MT
    J Am Chem Soc; 2003 Mar; 125(11):3341-52. PubMed ID: 12630890
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Microhydration of guanine...cytosine base pairs, a theoretical Study on the role of water in stability, structure and tautomeric equilibrium.
    Zelený T; Hobza P; Kabelác M
    Phys Chem Chem Phys; 2009 May; 11(18):3430-5. PubMed ID: 19421545
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Solvent effects on the S(N)2 reaction: Application of the density functional theory-based effective fragment potential method.
    Adamovic I; Gordon MS
    J Phys Chem A; 2005 Mar; 109(8):1629-36. PubMed ID: 16833487
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Analytic calculation of first-order molecular properties at the explicitly correlated second-order Moller-Plesset level: basis-set limits for the molecular quadrupole moments of BH and HF.
    Kordel E; Villani C; Klopper W
    J Chem Phys; 2005 Jun; 122(21):214306. PubMed ID: 15974737
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Water-catalyzed dehalogenation reactions of isobromoform and its reaction products.
    Kwok WM; Zhao C; Li YL; Guan X; Wang D; Phillips DL
    J Am Chem Soc; 2004 Mar; 126(10):3119-31. PubMed ID: 15012142
    [TBL] [Abstract][Full Text] [Related]  

  • 28. [2+2] Cycloaddition reactions of ethylene derivatives with the Si(100)-2 x 1 surface: a theoretical study.
    Wang Y; Ma J; Inagaki S; Pei Y
    J Phys Chem B; 2005 Mar; 109(11):5199-206. PubMed ID: 16863185
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Explicitly correlated second-order Møller-Plesset perturbation theory for unrestricted Hartree-Fock reference functions with exact satisfaction of cusp conditions.
    Bokhan D; Bernadotte S; Ten-No S
    J Chem Phys; 2009 Aug; 131(8):084105. PubMed ID: 19725606
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Influence of the water molecule on cation-pi interaction: ab initio second order Møller-Plesset perturbation theory (MP2) calculations.
    Xu Y; Shen J; Zhu W; Luo X; Chen K; Jiang H
    J Phys Chem B; 2005 Mar; 109(12):5945-9. PubMed ID: 16851648
    [TBL] [Abstract][Full Text] [Related]  

  • 31. GolP: an atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water.
    Iori F; Di Felice R; Molinari E; Corni S
    J Comput Chem; 2009 Jul; 30(9):1465-76. PubMed ID: 19037859
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies.
    Hesselmann A; Jansen G; Schütz M
    J Chem Phys; 2005 Jan; 122(1):14103. PubMed ID: 15638638
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Methyl and pentyl chloride in a microhydrated environment and at the liquid water-vapor interface: a theoretical study.
    Pašalić H; Roeselová M; Lischka H
    J Phys Chem B; 2011 Mar; 115(8):1807-16. PubMed ID: 21294574
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Modeling protic to dipolar aprotic solvent rate acceleration and leaving group effects in S(N)2 reactions: A theoretical study of the reaction of acetate ion with ethyl halides in aqueous and dimethyl sulfoxide solutions.
    Tondo DW; Pliego JR
    J Phys Chem A; 2005 Jan; 109(3):507-11. PubMed ID: 16833372
    [TBL] [Abstract][Full Text] [Related]  

  • 35. What makes an N12 cage stable?
    Bruney LY; Bledson TM; Strout DL
    Inorg Chem; 2003 Dec; 42(24):8117-20. PubMed ID: 14632534
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Dispersion-corrected Møller-Plesset second-order perturbation theory.
    Tkatchenko A; DiStasio RA; Head-Gordon M; Scheffler M
    J Chem Phys; 2009 Sep; 131(9):094106. PubMed ID: 19739848
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 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]  

  • 38. The origin of deficiency of the supermolecule second-order Moller-Plesset approach for evaluating interaction energies.
    Cybulski SM; Lytle ML
    J Chem Phys; 2007 Oct; 127(14):141102. PubMed ID: 17935376
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Calculation of electron detachment energies for water cluster anions: an appraisal of electronic structure methods, with application to (H2O)20- AND (H2O)24-.
    Herbert JM; Head-Gordon M
    J Phys Chem A; 2005 Jun; 109(23):5217-29. PubMed ID: 16833879
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations.
    Steele RP; DiStasio RA; Shao Y; Kong J; Head-Gordon M
    J Chem Phys; 2006 Aug; 125(7):074108. PubMed ID: 16942323
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.