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 *

759 related articles for article (PubMed ID: 22112061)

  • 1. 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]  

  • 2. Basis set dependence of higher-order correlation effects in π-type interactions.
    Carrell EJ; Thorne CM; Tschumper GS
    J Chem Phys; 2012 Jan; 136(1):014103. PubMed ID: 22239765
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. 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]  

  • 5. 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]  

  • 6. 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]  

  • 7. 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]  

  • 8. 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]  

  • 9. True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experiment.
    Jurecka P; Hobza P
    J Am Chem Soc; 2003 Dec; 125(50):15608-13. PubMed ID: 14664608
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. 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]  

  • 12. 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]  

  • 13. Basis set consistent revision of the S22 test set of noncovalent interaction energies.
    Takatani T; Hohenstein EG; Malagoli M; Marshall MS; Sherrill CD
    J Chem Phys; 2010 Apr; 132(14):144104. PubMed ID: 20405982
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Performance of spin-component-scaled Møller-Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions.
    Takatani T; David Sherrill C
    Phys Chem Chem Phys; 2007 Dec; 9(46):6106-14. PubMed ID: 18167585
    [TBL] [Abstract][Full Text] [Related]  

  • 16. An ab initio benchmark study of hydrogen bonded formamide dimers.
    Frey JA; Leutwyler S
    J Phys Chem A; 2006 Nov; 110(45):12512-8. PubMed ID: 17091957
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI; Erhardt PW
    J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Importance and Reliability of Small Basis Set CCSD(T) Corrections to MP2 Binding and Relative Energies of Water Clusters.
    Temelso B; Renner CR; Shields GC
    J Chem Theory Comput; 2015 Apr; 11(4):1439-48. PubMed ID: 26574355
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Variational formulation of perturbative explicitly-correlated coupled-cluster methods.
    Torheyden M; Valeev EF
    Phys Chem Chem Phys; 2008 Jun; 10(23):3410-20. PubMed ID: 18535724
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set Assessment.
    Zhang J; Valeev EF
    J Chem Theory Comput; 2012 Sep; 8(9):3175-86. PubMed ID: 26605729
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 38.