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 *

216 related articles for article (PubMed ID: 26139028)

  • 1. Extensions and applications of the A24 data set of accurate interaction energies.
    Řezáč J; Dubecký M; Jurečka P; Hobza P
    Phys Chem Chem Phys; 2015 Jul; 17(29):19268-77. PubMed ID: 26139028
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction Energies.
    Smith DG; Jankowski P; Slawik M; Witek HA; Patkowski K
    J Chem Theory Comput; 2014 Aug; 10(8):3140-50. PubMed ID: 26588285
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy.
    Dubecký M; Derian R; Jurečka P; Mitas L; Hobza P; Otyepka M
    Phys Chem Chem Phys; 2014 Oct; 16(38):20915-23. PubMed ID: 25170978
    [TBL] [Abstract][Full Text] [Related]  

  • 5. On the accuracy of explicitly correlated coupled-cluster interaction energies--have orbital results been beaten yet?
    Patkowski K
    J Chem Phys; 2012 Jul; 137(3):034103. PubMed ID: 22830679
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.
    Hill JG; Peterson KA; Knizia G; Werner HJ
    J Chem Phys; 2009 Nov; 131(19):194105. PubMed ID: 19929044
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Evaluation of composite schemes for CCSDT(Q) calculations of interaction energies of noncovalent complexes.
    Demovičová L; Hobza P; Řezáč J
    Phys Chem Chem Phys; 2014 Sep; 16(36):19115-21. PubMed ID: 25099283
    [TBL] [Abstract][Full Text] [Related]  

  • 9. CCSD[T] Describes Noncovalent Interactions Better than the CCSD(T), CCSD(TQ), and CCSDT Methods.
    Řezáč J; Šimová L; Hobza P
    J Chem Theory Comput; 2013 Jan; 9(1):364-9. PubMed ID: 26589039
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy.
    Dubecký M; Jurečka P; Derian R; Hobza P; Otyepka M; Mitas L
    J Chem Theory Comput; 2013 Oct; 9(10):4287-92. PubMed ID: 26589147
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accurate calculations of intermolecular interaction energies using explicitly correlated coupled cluster wave functions and a dispersion-weighted MP2 method.
    Marchetti O; Werner HJ
    J Phys Chem A; 2009 Oct; 113(43):11580-5. PubMed ID: 19807061
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Comparison of Explicitly Correlated Methods for Computing High-Accuracy Benchmark Energies for Noncovalent Interactions.
    Sirianni DA; Burns LA; Sherrill CD
    J Chem Theory Comput; 2017 Jan; 13(1):86-99. PubMed ID: 28068770
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions.
    Marchetti O; Werner HJ
    Phys Chem Chem Phys; 2008 Jun; 10(23):3400-9. PubMed ID: 18535723
    [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. Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications.
    Řezáč J; Hobza P
    Chem Rev; 2016 May; 116(9):5038-71. PubMed ID: 26943241
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Benchmark theoretical study of the π-π binding energy in the benzene dimer.
    Miliordos E; Aprà E; Xantheas SS
    J Phys Chem A; 2014 Sep; 118(35):7568-78. PubMed ID: 24761749
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Some Observations on Counterpoise Corrections for Explicitly Correlated Calculations on Noncovalent Interactions.
    Brauer B; Kesharwani MK; Martin JM
    J Chem Theory Comput; 2014 Sep; 10(9):3791-9. PubMed ID: 26588524
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Scalable Electron Correlation Methods. 8. Explicitly Correlated Open-Shell Coupled-Cluster with Pair Natural Orbitals PNO-RCCSD(T)-F12 and PNO-UCCSD(T)-F12.
    Ma Q; Werner HJ
    J Chem Theory Comput; 2021 Feb; 17(2):902-926. PubMed ID: 33405921
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Toward a less costly but accurate calculation of the CCSD(T)/CBS noncovalent interaction energy.
    Chen JL; Sun T; Wang YB; Wang W
    J Comput Chem; 2020 May; 41(13):1252-1260. PubMed ID: 32045021
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Coupled Cluster Benchmarking of Large Noncovalent Complexes in L7 and S12L as Well as the C
    Villot C; Ballesteros F; Wang D; Lao KU
    J Phys Chem A; 2022 Jul; 126(27):4326-4341. PubMed ID: 35766331
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.