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 *

252 related articles for article (PubMed ID: 17963229)

  • 1. Improved efficiency of focal point conformational analysis with truncated correlation consistent basis sets.
    Kahn K; Kahn I
    J Comput Chem; 2008 Apr; 29(6):900-11. PubMed ID: 17963229
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Behavior of density functionals with respect to basis set. VI. Truncation of the correlation consistent basis sets.
    Prascher BP; Wilson BR; Wilson AK
    J Chem Phys; 2007 Sep; 127(12):124110. PubMed ID: 17902896
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Extrapolating to the one-electron basis-set limit in electronic structure calculations.
    Varandas AJ
    J Chem Phys; 2007 Jun; 126(24):244105. PubMed ID: 17614535
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Hartree-Fock complete basis set limit properties for transition metal diatomics.
    Williams TG; DeYonker NJ; Wilson AK
    J Chem Phys; 2008 Jan; 128(4):044101. PubMed ID: 18247924
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Computer simulation of trifluoromethane properties with ab initio force field.
    Chung YH; Li AH; Chao SD
    J Comput Chem; 2011 Aug; 32(11):2414-21. PubMed ID: 21598276
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Extrapolation of electron correlation energies to finite and complete basis set targets.
    Bakowies D
    J Chem Phys; 2007 Aug; 127(8):084105. PubMed ID: 17764227
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Basis set limits of the second order Moller-Plesset correlation energies of water, methane, acetylene, ethylene, and benzene.
    Yamaki D; Koch H; Ten-no S
    J Chem Phys; 2007 Oct; 127(14):144104. PubMed ID: 17935383
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Towards benchmark second-order correlation energies for large atoms. II. Angular extrapolation problems.
    Flores JR; Słupski R; Jankowski K
    J Chem Phys; 2006 Mar; 124(10):104107. PubMed ID: 16542068
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The correlation-consistent composite approach: application to the G3/99 test set.
    DeYonker NJ; Grimes T; Yockel S; Dinescu A; Mintz B; Cundari TR; Wilson AK
    J Chem Phys; 2006 Sep; 125(10):104111. PubMed ID: 16999519
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Basis set convergence studies of Hartree-Fock calculations of molecular properties within the resolution of the identity approximation.
    Artemyev A; Bibikov A; Zayets V; Bodrenko I
    J Chem Phys; 2005 Jul; 123(2):24103. PubMed ID: 16050737
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Accurate extrapolation of electron correlation energies from small basis sets.
    Bakowies D
    J Chem Phys; 2007 Oct; 127(16):164109. PubMed ID: 17979321
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Second-order Møller-Plesset theory with linear R12 terms (MP2-R12) revisited: auxiliary basis set method and massively parallel implementation.
    Valeev EF; Janssen CL
    J Chem Phys; 2004 Jul; 121(3):1214-27. PubMed ID: 15260663
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory.
    Heckert M; Kállay M; Tew DP; Klopper W; Gauss J
    J Chem Phys; 2006 Jul; 125(4):44108. PubMed ID: 16942135
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The accuracy of ab initio molecular geometries for systems containing second-row atoms.
    Coriani S; Marchesan D; Gauss J; Hättig C; Helgaker T; Jørgensen P
    J Chem Phys; 2005 Nov; 123(18):184107. PubMed ID: 16292899
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ab initio thermochemistry using optimal-balance models with isodesmic corrections: the ATOMIC protocol.
    Bakowies D
    J Chem Phys; 2009 Apr; 130(14):144113. PubMed ID: 19368435
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.
    Lu YX; Zou JW; Fan JC; Zhao WN; Jiang YJ; Yu QS
    J Comput Chem; 2009 Apr; 30(5):725-32. PubMed ID: 18727160
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Molecular dynamics simulation of liquid carbon tetrachloride using ab initio force field.
    Li AH; Huang SC; Chao SD
    J Chem Phys; 2010 Jan; 132(2):024506. PubMed ID: 20095686
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials.
    Chao SW; Li AH; Chao SD
    J Comput Chem; 2009 Sep; 30(12):1839-49. PubMed ID: 19090563
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Truncation of the correlation consistent basis sets: extension to third-row (Ga-Kr) molecules.
    Mintz B; Wilson AK
    J Chem Phys; 2005 Apr; 122(13):134106. PubMed ID: 15847454
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.