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 *

339 related articles for article (PubMed ID: 17523792)

  • 1. Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers.
    Podeszwa R; Szalewicz K
    J Chem Phys; 2007 May; 126(19):194101. PubMed ID: 17523792
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers.
    Misquitta AJ; Szalewicz K
    J Chem Phys; 2005 Jun; 122(21):214109. PubMed ID: 15974730
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes.
    Zuchowski PS; Podeszwa R; Moszyński R; Jeziorski B; Szalewicz K
    J Chem Phys; 2008 Aug; 129(8):084101. PubMed ID: 19044812
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Third-order interactions in symmetry-adapted perturbation theory.
    Patkowski K; Szalewicz K; Jeziorski B
    J Chem Phys; 2006 Oct; 125(15):154107. PubMed ID: 17059239
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers.
    Bukowski R; Szalewicz K; Groenenboom G; van der Avoird A
    J Chem Phys; 2006 Jul; 125(4):44301. PubMed ID: 16942136
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT+Disp methods for the interaction energies of endohedral complexes of the C(60) fullerene with a rare gas atom.
    Hesselmann A; Korona T
    Phys Chem Chem Phys; 2011 Jan; 13(2):732-43. PubMed ID: 21046038
    [TBL] [Abstract][Full Text] [Related]  

  • 11. The nature of interactions between clusters of Mg and Zn with HCN from symmetry-adapted perturbation theory based of DFT.
    Snyder DN; Szcześniak MM; Chałasiński G
    J Chem Phys; 2009 Jun; 130(22):224704. PubMed ID: 19530781
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. 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]  

  • 14. Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes.
    Hapka M; Żuchowski PS; Szczęśniak MM; Chałasiński G
    J Chem Phys; 2012 Oct; 137(16):164104. PubMed ID: 23126692
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Three-body contribution to the helium interaction potential.
    Cencek W; Jeziorska M; Akin-Ojo O; Szalewicz K
    J Phys Chem A; 2007 Nov; 111(44):11311-9. PubMed ID: 17595067
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Improved supermolecular second order Møller-Plesset intermolecular interaction energies using time-dependent density functional response theory.
    Hesselmann A
    J Chem Phys; 2008 Apr; 128(14):144112. PubMed ID: 18412428
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Symmetry-adapted perturbation theory with Kohn-Sham orbitals using non-empirically tuned, long-range-corrected density functionals.
    Lao KU; Herbert JM
    J Chem Phys; 2014 Jan; 140(4):044108. PubMed ID: 25669506
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Potential energy surface for the benzene dimer and perturbational analysis of pi-pi interactions.
    Podeszwa R; Bukowski R; Szalewicz K
    J Phys Chem A; 2006 Aug; 110(34):10345-54. PubMed ID: 16928128
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Intermolecular forces and molecular dynamics simulation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using symmetry adapted perturbation theory.
    Taylor DE
    J Phys Chem A; 2013 Apr; 117(16):3507-20. PubMed ID: 23565605
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 17.