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 *

113 related articles for article (PubMed ID: 25725707)

  • 1. Correlation consistent basis sets for the atoms In-Xe.
    Mahler A; Wilson AK
    J Chem Phys; 2015 Feb; 142(8):084102. PubMed ID: 25725707
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Correlation consistent basis sets for actinides. I. The Th and U atoms.
    Peterson KA
    J Chem Phys; 2015 Feb; 142(7):074105. PubMed ID: 25702000
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Relativistic effects determined using the Douglas-Kroll contracted basis sets and correlation consistent basis sets with small-core relativistic pseudopotentials.
    Yockel S; Wilson AK
    J Chem Phys; 2005 May; 122(17):174310. PubMed ID: 15910035
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecular core-valence correlation effects involving the post-d elements Ga-Rn: benchmarks and new pseudopotential-based correlation consistent basis sets.
    Peterson KA; Yousaf KE
    J Chem Phys; 2010 Nov; 133(17):174116. PubMed ID: 21054015
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc-Zn.
    Balabanov NB; Peterson KA
    J Chem Phys; 2005 Aug; 123(6):64107. PubMed ID: 16122300
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Model core potential and all-electron studies of molecules containing rare gas atoms.
    Fitzsimmons A; Mori H; Miyoshi E; Klobukowski M
    J Phys Chem A; 2010 Aug; 114(33):8786-92. PubMed ID: 20524677
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Systematically convergent correlation consistent basis sets for molecular core-valence correlation effects: the third-row atoms gallium through krypton.
    Deyonker NJ; Peterson KA; Wilson AK
    J Phys Chem A; 2007 Nov; 111(44):11383-93. PubMed ID: 17918918
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Basis-set quality and basis-set bias in molecular property calculations.
    Rappoport D
    Chemphyschem; 2011 Dec; 12(17):3404-13. PubMed ID: 21954117
    [TBL] [Abstract][Full Text] [Related]  

  • 9. All-electron Gaussian basis sets of double zeta quality for the actinides.
    Martins LS; Jorge FE; Franco ML; Ferreira IB
    J Chem Phys; 2016 Dec; 145(24):244113. PubMed ID: 28049304
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Third-order Douglas-Kroll self-consistent field energies for the neutral atoms H to Uuo.
    Saito SL
    J Chem Phys; 2009 Feb; 130(7):074306. PubMed ID: 19239293
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Contracted Gaussian basis sets for Douglas-Kroll-Hess calculations: Estimating scalar relativistic effects of some atomic and molecular properties.
    Jorge FE; Canal Neto A; Camiletti GG; Machado SF
    J Chem Phys; 2009 Feb; 130(6):064108. PubMed ID: 19222268
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Correlation consistent basis sets designed for density functional theory: Third-row atoms (Ga-Br).
    Determan JJ; Wilson AK
    J Chem Phys; 2024 Feb; 160(8):. PubMed ID: 38385513
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. New relativistic ANO basis sets for transition metal atoms.
    Roos BO; Lindh R; Malmqvist PA; Veryazov V; Widmark PO
    J Phys Chem A; 2005 Jul; 109(29):6575-9. PubMed ID: 16834004
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Third-order Douglas-Kroll relativistic coupled-cluster theory through connected single, double, triple, and quadruple substitutions: applications to diatomic and triatomic hydrides.
    Hirata S; Yanai T; de Jong WA; Nakajima T; Hirao K
    J Chem Phys; 2004 Feb; 120(7):3297-310. PubMed ID: 15268484
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Accurate quantum-chemical calculations using Gaussian-type geminal and Gaussian-type orbital basis sets: applications to atoms and diatomics.
    Dahle P; Helgaker T; Jonsson D; Taylor PR
    Phys Chem Chem Phys; 2007 Jun; 9(24):3112-26. PubMed ID: 17612735
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Basis set representation of the electron density at an atomic nucleus.
    Mastalerz R; Widmark PO; Roos BO; Lindh R; Reiher M
    J Chem Phys; 2010 Oct; 133(14):144111. PubMed ID: 20949991
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: the atoms B-Ne and Al-Ar.
    Hill JG; Mazumder S; Peterson KA
    J Chem Phys; 2010 Feb; 132(5):054108. PubMed ID: 20136306
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Energy-consistent relativistic pseudopotentials for the 4d elements: atomic and molecular applications.
    Figgen D; Peterson KA; Stoll H
    J Chem Phys; 2008 Jan; 128(3):034110. PubMed ID: 18205491
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.