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 *

279 related articles for article (PubMed ID: 23169496)

  • 1. Halogen-bonding interactions with π systems: CCSD(T), MP2, and DFT calculations.
    Forni A; Pieraccini S; Rendine S; Gabas F; Sironi M
    Chemphyschem; 2012 Dec; 13(18):4224-34. PubMed ID: 23169496
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Halogen-π Interactions between Benzene and X
    Youn IS; Kim DY; Cho WJ; Madridejos JM; Lee HM; Kołaski M; Lee J; Baig C; Shin SK; Filatov M; Kim KS
    J Phys Chem A; 2016 Nov; 120(46):9305-9314. PubMed ID: 27802060
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory.
    Kołaski M; Kumar A; Singh NJ; Kim KS
    Phys Chem Chem Phys; 2011 Jan; 13(3):991-1001. PubMed ID: 21063580
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Density functional theory based study of molecular interactions, recognition, engineering, and quantum transport in π molecular systems.
    Cho Y; Cho WJ; Youn IS; Lee G; Singh NJ; Kim KS
    Acc Chem Res; 2014 Nov; 47(11):3321-30. PubMed ID: 25338296
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Comparison of aromatic NH···π, OH···π, and CH···π interactions of alanine using MP2, CCSD, and DFT methods.
    Mohan N; Vijayalakshmi KP; Koga N; Suresh CH
    J Comput Chem; 2010 Dec; 31(16):2874-82. PubMed ID: 20928850
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Is spin-component scaled second-order Møller-Plesset perturbation theory an appropriate method for the study of noncovalent interactions in molecules?
    Antony J; Grimme S
    J Phys Chem A; 2007 Jun; 111(22):4862-8. PubMed ID: 17506533
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Calculations on noncovalent interactions and databases of benchmark interaction energies.
    Hobza P
    Acc Chem Res; 2012 Apr; 45(4):663-72. PubMed ID: 22225511
    [TBL] [Abstract][Full Text] [Related]  

  • 8. MP2.5 and MP2.X: approaching CCSD(T) quality description of noncovalent interaction at the cost of a single CCSD iteration.
    Sedlak R; Riley KE; Řezáč J; Pitoňák M; Hobza P
    Chemphyschem; 2013 Mar; 14(4):698-707. PubMed ID: 23315749
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. On geometries of stacked and H-bonded nucleic acid base pairs determined at various DFT, MP2, and CCSD(T) levels up to the CCSD(T)/complete basis set limit level.
    Dabkowska I; Jurecka P; Hobza P
    J Chem Phys; 2005 May; 122(20):204322. PubMed ID: 15945739
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Halogen-hydride interaction between Z-X (Z = CN, NC; X = F, Cl, Br) and H-Mg-Y (Y = H, F, Cl, Br, CH3).
    Mohajeri A; Alipour M; Mousaee M
    J Phys Chem A; 2011 May; 115(17):4457-66. PubMed ID: 21456584
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Complete basis set limit of Ab initio binding energies and geometrical parameters for various typical types of complexes.
    Min SK; Lee EC; Lee HM; Kim DY; Kim D; Kim KS
    J Comput Chem; 2008 Jun; 29(8):1208-21. PubMed ID: 18074343
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexes.
    Maranzana A; Giordana A; Indarto A; Tonachini G; Barone V; Causà M; Pavone M
    J Chem Phys; 2013 Dec; 139(24):244306. PubMed ID: 24387369
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.
    Pitonák M; Riley KE; Neogrády P; Hobza P
    Chemphyschem; 2008 Aug; 9(11):1636-44. PubMed ID: 18574830
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Assessment of DFT Functionals for QTAIM Topological Analysis of Halogen Bonds with Benzene.
    Forni A; Pieraccini S; Franchini D; Sironi M
    J Phys Chem A; 2016 Nov; 120(45):9071-9080. PubMed ID: 27718571
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Halogen bonds with benzene: an assessment of DFT functionals.
    Forni A; Pieraccini S; Rendine S; Sironi M
    J Comput Chem; 2014 Feb; 35(5):386-94. PubMed ID: 24339225
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.
    Tsuzuki S; Honda K; Uchimaru T; Mikami M
    J Chem Phys; 2006 Mar; 124(11):114304. PubMed ID: 16555885
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Treating dispersion effects in extended systems by hybrid MP2:DFT calculations--protonation of isobutene in zeolite ferrierite.
    Tuma C; Sauer J
    Phys Chem Chem Phys; 2006 Sep; 8(34):3955-65. PubMed ID: 17028686
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.