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 *

117 related articles for article (PubMed ID: 38703182)

  • 1. An efficient method by combining different basis sets and SAPT levels.
    Deng Z; Liu C; Li Z; Zhang Y
    J Comput Chem; 2024 Aug; 45(22):1936-1944. PubMed ID: 38703182
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.
    Lao KU; Schäffer R; Jansen G; Herbert JM
    J Chem Theory Comput; 2015 Jun; 11(6):2473-86. PubMed ID: 26575547
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies.
    Parker TM; Burns LA; Parrish RM; Ryno AG; Sherrill CD
    J Chem Phys; 2014 Mar; 140(9):094106. PubMed ID: 24606352
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit.
    Řezáč J; Hobza P
    J Chem Theory Comput; 2011 Mar; 7(3):685-9. PubMed ID: 26596299
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory.
    Hohenstein EG; Sherrill CD
    J Chem Phys; 2010 Jul; 133(1):014101. PubMed ID: 20614953
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Explicitly Correlated Dispersion and Exchange Dispersion Energies in Symmetry-Adapted Perturbation Theory.
    Kodrycka M; Holzer C; Klopper W; Patkowski K
    J Chem Theory Comput; 2019 Nov; 15(11):5965-5986. PubMed ID: 31503481
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Efficient Density-Fitted Explicitly Correlated Dispersion and Exchange Dispersion Energies.
    Kodrycka M; Patkowski K
    J Chem Theory Comput; 2021 Mar; 17(3):1435-1456. PubMed ID: 33606539
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules.
    Nguyen BD; Chen GP; Agee MM; Burow AM; Tang MP; Furche F
    J Chem Theory Comput; 2020 Apr; 16(4):2258-2273. PubMed ID: 32105488
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Comparison of the Effective Fragment Potential Method with Symmetry-Adapted Perturbation Theory in the Calculation of Intermolecular Energies for Ionic Liquids.
    Tan SY; Izgorodina EI
    J Chem Theory Comput; 2016 Jun; 12(6):2553-68. PubMed ID: 27116302
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Improving "Silver-Standard" Benchmark Interaction Energies with Bond Functions.
    Dutta NN; Patkowski K
    J Chem Theory Comput; 2018 Jun; 14(6):3053-3070. PubMed ID: 29772176
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set.
    Flick JC; Kosenkov D; Hohenstein EG; Sherrill CD; Slipchenko LV
    J Chem Theory Comput; 2012 Aug; 8(8):2835-43. PubMed ID: 26592124
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Implementation of symmetry-adapted perturbation theory based on density functional theory and using hybrid exchange-correlation kernels for dispersion terms.
    Xie Y; Smith DGA; Sherrill CD
    J Chem Phys; 2022 Jul; 157(2):024801. PubMed ID: 35840394
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Basis set convergence of the coupled-cluster correction, δ(MP2)(CCSD(T)): best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases.
    Marshall MS; Burns LA; Sherrill CD
    J Chem Phys; 2011 Nov; 135(19):194102. PubMed ID: 22112061
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies.
    Mackie ID; DiLabio GA
    J Chem Phys; 2011 Oct; 135(13):134318. PubMed ID: 21992316
    [TBL] [Abstract][Full Text] [Related]  

  • 18. MP2.X: a generalized MP2.5 method that produces improved binding energies with smaller basis sets.
    Riley KE; Řezáč J; Hobza P
    Phys Chem Chem Phys; 2011 Dec; 13(47):21121-5. PubMed ID: 22025174
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Comprehensive Basis-Set Testing of Extended Symmetry-Adapted Perturbation Theory and Assessment of Mixed-Basis Combinations to Reduce Cost.
    Gray M; Herbert JM
    J Chem Theory Comput; 2022 Apr; 18(4):2308-2330. PubMed ID: 35289608
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs.
    Jurecka P; Sponer J; Cerný J; Hobza P
    Phys Chem Chem Phys; 2006 May; 8(17):1985-93. PubMed ID: 16633685
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.