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 *

180 related articles for article (PubMed ID: 26589040)

  • 21. Influence of silicon defects on the adsorption of thiophene-like compounds on polycyclic aromatic hydrocarbons: a theoretical study using thiophene + coronene as the simplest model.
    Galano A
    J Phys Chem A; 2007 Mar; 111(9):1677-82. PubMed ID: 17295456
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Appropriate description of intermolecular interactions in the methane hydrates: an assessment of DFT methods.
    Liu Y; Zhao J; Li F; Chen Z
    J Comput Chem; 2013 Jan; 34(2):121-31. PubMed ID: 22949382
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Assessment of Density Functional Theory in Predicting Interaction Energies between Water and Polycyclic Aromatic Hydrocarbons: from Water on Benzene to Water on Graphene.
    Ajala AO; Voora V; Mardirossian N; Furche F; Paesani F
    J Chem Theory Comput; 2019 Apr; 15(4):2359-2374. PubMed ID: 30860827
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Aliphatic C-H/pi interactions: Methane-benzene, methane-phenol, and methane-indole complexes.
    Ringer AL; Figgs MS; Sinnokrot MO; Sherrill CD
    J Phys Chem A; 2006 Sep; 110(37):10822-8. PubMed ID: 16970377
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Assessing the polycyclic aromatic hydrocarbon anisotropic potential with application to the exfoliation energy of graphite.
    Totton TS; Misquitta AJ; Kraft M
    J Phys Chem A; 2011 Nov; 115(46):13684-93. PubMed ID: 21967093
    [TBL] [Abstract][Full Text] [Related]  

  • 26. π-π stacking between polyaromatic hydrocarbon sheets beyond dispersion interactions.
    Silva NJ; Machado FB; Lischka H; Aquino AJ
    Phys Chem Chem Phys; 2016 Aug; 18(32):22300-10. PubMed ID: 27456432
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Molecular potential energies in dodecahedron cell of methane hydrate and dispersion correction for DFT.
    Du QS; Li DP; Liu PJ; Huang RB
    J Mol Graph Model; 2008 Sep; 27(2):140-6. PubMed ID: 18485767
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations.
    Misquitta AJ; Podeszwa R; Jeziorski B; Szalewicz K
    J Chem Phys; 2005 Dec; 123(21):214103. PubMed ID: 16356035
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Study of polycyclic aromatic hydrocarbons adsorbed on graphene using density functional theory with empirical dispersion correction.
    Ershova OV; Lillestolen TC; Bichoutskaia E
    Phys Chem Chem Phys; 2010 Jun; 12(24):6483-91. PubMed ID: 20383394
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Empirical Correction to Molecular Interaction Energies in Density Functional Theory (DFT) for Methane Hydrate Simulation.
    Du QS; Liu PJ; Deng J
    J Chem Theory Comput; 2007 Sep; 3(5):1665-72. PubMed ID: 26627612
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Graphitic carbon-water nonbonded interaction parameters.
    Wu Y; Aluru NR
    J Phys Chem B; 2013 Jul; 117(29):8802-13. PubMed ID: 23802763
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Accurately characterizing the pi-pi interaction energies of indole-benzene complexes.
    Geng Y; Takatani T; Hohenstein EG; Sherrill CD
    J Phys Chem A; 2010 Mar; 114(10):3576-82. PubMed ID: 20175508
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Quantum chemical modeling of benzene ethylation over H-ZSM-5 approaching chemical accuracy: a hybrid MP2:DFT study.
    Hansen N; Kerber T; Sauer J; Bell AT; Keil FJ
    J Am Chem Soc; 2010 Aug; 132(33):11525-38. PubMed ID: 20677757
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Dispersion interactions of carbohydrates with condensate aromatic moieties: theoretical study on the CH-π interaction additive properties.
    Kozmon S; Matuška R; Spiwok V; Koča J
    Phys Chem Chem Phys; 2011 Aug; 13(31):14215-22. PubMed ID: 21755090
    [TBL] [Abstract][Full Text] [Related]  

  • 35. True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experiment.
    Jurecka P; Hobza P
    J Am Chem Soc; 2003 Dec; 125(50):15608-13. PubMed ID: 14664608
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Determination of structure and properties of molecular crystals from first principles.
    Szalewicz K
    Acc Chem Res; 2014 Nov; 47(11):3266-74. PubMed ID: 25354310
    [TBL] [Abstract][Full Text] [Related]  

  • 37. A Benchmark Ab Initio and DFT Study of the Structure and Binding of Methane in the σ-Alkane Complex CpRe(CO)2(CH4).
    Chan B; Ball GE
    J Chem Theory Comput; 2013 May; 9(5):2199-208. PubMed ID: 26583714
    [TBL] [Abstract][Full Text] [Related]  

  • 38. How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH-pi and pi-pi interactions? A comparison to supermolecular calculations for the acetylene-benzene dimer.
    Tekin A; Jansen G
    Phys Chem Chem Phys; 2007 Apr; 9(14):1680-7. PubMed ID: 17396179
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Density-functional approaches to noncovalent interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals.
    Burns LA; Vázquez-Mayagoitia A; Sumpter BG; Sherrill CD
    J Chem Phys; 2011 Feb; 134(8):084107. PubMed ID: 21361527
    [TBL] [Abstract][Full Text] [Related]  

  • 40. DFT/CCSD(T) investigation of the interaction of molecular hydrogen with carbon nanostructures.
    Rubes M; Bludský O
    Chemphyschem; 2009 Aug; 10(11):1868-73. PubMed ID: 19399823
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.