BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

1005 related articles for article (PubMed ID: 16356035)

  • 21. Comparison of intermolecular interaction energies from SAPT and DFT including empirical dispersion contributions.
    Hesselmann A
    J Phys Chem A; 2011 Oct; 115(41):11321-30. PubMed ID: 21806071
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Interactions of transition metal atoms in high-spin states: Cr2, Sc-Cr, and Sc-Kr.
    Rajchel L; Zuchowski PS; Kłos J; Szcześniak MM; Chałasiński G
    J Chem Phys; 2007 Dec; 127(24):244302. PubMed ID: 18163670
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Intermolecular potential energy surface and spectra of He-HCl with generalization to other rare gas-hydrogen halide complexes.
    Murdachaew G; Szalewicz K; Jiang H; Bacić Z
    J Chem Phys; 2004 Dec; 121(23):11839-55. PubMed ID: 15634146
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Cooperative effects, strengths of hydrogen bonds, and intermolecular interactions in circular cis, trans-cyclotriazane clusters (n = 3-8).
    Song HJ; Xiao HM; Dong HS
    J Chem Phys; 2006 Aug; 125(7):074308. PubMed ID: 16942340
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Benchmark calculations of water-acene interaction energies: Extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods.
    Jenness GR; Karalti O; Jordan KD
    Phys Chem Chem Phys; 2010 Jun; 12(24):6375-81. PubMed ID: 20414490
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Assessing the accuracy of SAPT(DFT) interaction energies by comparison with experimentally derived noble gas potentials and molecular crystal lattice energies.
    Bordner AJ
    Chemphyschem; 2012 Dec; 13(17):3981-8. PubMed ID: 23060262
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Evaluation of theoretical approaches for describing the interaction of water with linear acenes.
    Jenness GR; Karalti O; Al-Saidi WA; Jordan KD
    J Phys Chem A; 2011 Jun; 115(23):5955-64. PubMed ID: 21410273
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory.
    Podeszwa R; Bukowski R; Rice BM; Szalewicz K
    Phys Chem Chem Phys; 2007 Nov; 9(41):5561-9. PubMed ID: 17957312
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Frozen core and effective core potentials in symmetry-adapted perturbation theory.
    Patkowski K; Szalewicz K
    J Chem Phys; 2007 Oct; 127(16):164103. PubMed ID: 17979315
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Interactions in diatomic dimers involving closed-shell metals.
    Patkowski K; Podeszwa R; Szalewicz K
    J Phys Chem A; 2007 Dec; 111(49):12822-38. PubMed ID: 18020431
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity.
    Teale AM; De Proft F; Tozer DJ
    J Chem Phys; 2008 Jul; 129(4):044110. PubMed ID: 18681637
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Density functional method including weak interactions: Dispersion coefficients based on the local response approximation.
    Sato T; Nakai H
    J Chem Phys; 2009 Dec; 131(22):224104. PubMed ID: 20001021
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations.
    Zgarbová M; Otyepka M; Sponer J; Hobza P; Jurecka P
    Phys Chem Chem Phys; 2010 Sep; 12(35):10476-93. PubMed ID: 20603660
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Density-functional theory with effective potential expressed as a direct mapping of the external potential: applications to atomization energies and ionization potentials.
    Glushkov VN; Fesenko SI
    J Chem Phys; 2006 Dec; 125(23):234111. PubMed ID: 17190551
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion.
    Patkowski K; Jeziorski B; Szalewicz K
    J Chem Phys; 2004 Apr; 120(15):6849-62. PubMed ID: 15267584
    [TBL] [Abstract][Full Text] [Related]  

  • 37. A density-functional study on pi-aromatic interaction: benzene dimer and naphthalene dimer.
    Sato T; Tsuneda T; Hirao K
    J Chem Phys; 2005 Sep; 123(10):104307. PubMed ID: 16178597
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Accurate calculation and modeling of the adiabatic connection in density functional theory.
    Teale AM; Coriani S; Helgaker T
    J Chem Phys; 2010 Apr; 132(16):164115. PubMed ID: 20441266
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Assessing the performance of dispersionless and dispersion-accounting methods: helium interaction with cluster models of the TiO2(110) surface.
    de Lara-Castells MP; Stoll H; Mitrushchenkov AO
    J Phys Chem A; 2014 Aug; 118(33):6367-84. PubMed ID: 24520826
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Predicting and Understanding Non-Covalent Interactions Using Novel Forms of Symmetry-Adapted Perturbation Theory.
    Carter-Fenk K; Lao KU; Herbert JM
    Acc Chem Res; 2021 Oct; 54(19):3679-3690. PubMed ID: 34550669
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 51.