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 *

174 related articles for article (PubMed ID: 25296797)

  • 1. Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory.
    Hapka M; Rajchel Ł; Modrzejewski M; Chałasiński G; Szczęśniak MM
    J Chem Phys; 2014 Oct; 141(13):134120. PubMed ID: 25296797
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. Assessment of SAPT(DFT) with meta-GGA functionals.
    Hapka M; Modrzejewski M; Chałasiński G; Szczęśniak MM
    J Mol Model; 2020 Apr; 26(5):102. PubMed ID: 32296948
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Simplified tuning of long-range corrected density functionals for use in symmetry-adapted perturbation theory.
    Gray M; Herbert JM
    J Chem Phys; 2021 Jul; 155(3):034103. PubMed ID: 34293871
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. 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]  

  • 10. Energy decomposition scheme based on the generalized Kohn-Sham scheme.
    Su P; Jiang Z; Chen Z; Wu W
    J Phys Chem A; 2014 Apr; 118(13):2531-42. PubMed ID: 24611964
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Density-Fitting Method in Symmetry-Adapted Perturbation Theory Based on Kohn-Sham Description of Monomers.
    Podeszwa R; Bukowski R; Szalewicz K
    J Chem Theory Comput; 2006 Mar; 2(2):400-12. PubMed ID: 26626527
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Does DFT-SAPT method provide spectroscopic accuracy?
    Shirkov L; Makarewicz J
    J Chem Phys; 2015 Feb; 142(6):064102. PubMed ID: 25681882
    [TBL] [Abstract][Full Text] [Related]  

  • 14. An improved treatment of empirical dispersion and a many-body energy decomposition scheme for the explicit polarization plus symmetry-adapted perturbation theory (XSAPT) method.
    Lao KU; Herbert JM
    J Chem Phys; 2013 Jul; 139(3):034107. PubMed ID: 23883010
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Frozen density embedding with hybrid functionals.
    Laricchia S; Fabiano E; Della Sala F
    J Chem Phys; 2010 Oct; 133(16):164111. PubMed ID: 21033779
    [TBL] [Abstract][Full Text] [Related]  

  • 16. On asymptotic behavior of density functional theory.
    Cencek W; Szalewicz K
    J Chem Phys; 2013 Jul; 139(2):024104. PubMed ID: 23862926
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Koopmans'-Type Theorem in Kohn-Sham Theory with Optimally Tuned Long-Range-Corrected (LC) Functionals.
    Hirao K; Bae HS; Song JW; Chan B
    J Phys Chem A; 2021 Apr; 125(16):3489-3502. PubMed ID: 33874719
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. 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]  

  • 20. ZMP-SAPT: DFT-SAPT using ab initio densities.
    Boese AD; Jansen G
    J Chem Phys; 2019 Apr; 150(15):154101. PubMed ID: 31005094
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.