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 *

147 related articles for article (PubMed ID: 26588515)

  • 21. 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]  

  • 22. Molecular Dynamics Driven by the Many-Body Expansion (MBE-MD).
    Heindel JP; Xantheas SS
    J Chem Theory Comput; 2021 Dec; 17(12):7341-7352. PubMed ID: 34723531
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?
    Neese F; Valeev EF
    J Chem Theory Comput; 2011 Jan; 7(1):33-43. PubMed ID: 26606216
    [TBL] [Abstract][Full Text] [Related]  

  • 24. The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights.
    Zheng J; Zhao Y; Truhlar DG
    J Chem Theory Comput; 2009 Apr; 5(4):808-21. PubMed ID: 26609587
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. An expanded calibration study of the explicitly correlated CCSD(T)-F12b method using large basis set standard CCSD(T) atomization energies.
    Feller D; Peterson KA
    J Chem Phys; 2013 Aug; 139(8):084110. PubMed ID: 24006977
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Efficiency of numerical basis sets for predicting the binding energies of hydrogen bonded complexes: evidence of small basis set superposition error compared to Gaussian basis sets.
    Inada Y; Orita H
    J Comput Chem; 2008 Jan; 29(2):225-32. PubMed ID: 17565500
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
    Li AH; Chao SD
    J Chem Phys; 2006 Sep; 125(9):094312. PubMed ID: 16965085
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Ab initio and analytic intermolecular potentials for Ar-CF4.
    Vayner G; Alexeev Y; Wang J; Windus TL; Hase WL
    J Phys Chem A; 2006 Mar; 110(9):3174-8. PubMed ID: 16509641
    [TBL] [Abstract][Full Text] [Related]  

  • 30. 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]  

  • 31. Accurate quantum-chemical fragmentation calculations for ion-water clusters with the density-based many-body expansion.
    Schürmann S; Vornweg JR; Wolter M; Jacob CR
    Phys Chem Chem Phys; 2022 Dec; 25(1):736-748. PubMed ID: 36507782
    [TBL] [Abstract][Full Text] [Related]  

  • 32. From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations.
    Kupka T; Stachów M; Nieradka M; Kaminsky J; Pluta T; Sauer SP
    Magn Reson Chem; 2011 May; 49(5):231-6. PubMed ID: 21387405
    [TBL] [Abstract][Full Text] [Related]  

  • 33. 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]  

  • 34. Systematically convergent basis sets for explicitly correlated wavefunctions: the atoms H, He, B-Ne, and Al-Ar.
    Peterson KA; Adler TB; Werner HJ
    J Chem Phys; 2008 Feb; 128(8):084102. PubMed ID: 18315028
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd.
    Peterson KA; Figgen D; Dolg M; Stoll H
    J Chem Phys; 2007 Mar; 126(12):124101. PubMed ID: 17411102
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Ab initio calculations of the Ar-ethane intermolecular potential energy surface using bond function basis sets.
    Zhang JD; Li SJ; Tao FM
    J Comput Chem; 2013 Mar; 34(8):673-80. PubMed ID: 23175446
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Accurate dipole polarizabilities for water clusters n=2-12 at the coupled-cluster level of theory and benchmarking of various density functionals.
    Hammond JR; Govind N; Kowalski K; Autschbach J; Xantheas SS
    J Chem Phys; 2009 Dec; 131(21):214103. PubMed ID: 19968333
    [TBL] [Abstract][Full Text] [Related]  

  • 38. 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]  

  • 39. Extrapolating potential energy surfaces by scaling electron correlation: isomerization of bicyclobutane to butadiene.
    Lutz JJ; Piecuch P
    J Chem Phys; 2008 Apr; 128(15):154116. PubMed ID: 18433199
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Proper gaussian basis sets for density functional studies of water dimers and trimers.
    Csonka GI; Ruzsinszky A; Perdew JP
    J Phys Chem B; 2005 Nov; 109(46):21471-5. PubMed ID: 16853784
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.