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: 26584362)

  • 1. Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. II. The d-Block Elements.
    Teodoro TQ; Ferreira da Silva AB; Haiduke RL
    J Chem Theory Comput; 2014 Nov; 10(11):4761-4. PubMed ID: 26584362
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. I. The s- and p-Block Elements.
    Teodoro TQ; da Silva AB; Haiduke RL
    J Chem Theory Comput; 2014 Sep; 10(9):3800-6. PubMed ID: 26588525
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple-ζ Quality: (aug-)RPF-4Z. III. The f-Block Elements.
    Teodoro TQ; Visscher L; da Silva AB; Haiduke RL
    J Chem Theory Comput; 2017 Mar; 13(3):1094-1101. PubMed ID: 28005360
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Accuracy of Effective Core Potentials and Basis Sets for Density Functional Calculations, Including Relativistic Effects, As Illustrated by Calculations on Arsenic Compounds.
    Xu X; Truhlar DG
    J Chem Theory Comput; 2011 Sep; 7(9):2766-79. PubMed ID: 26605468
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Optimized Slater-type basis sets for the elements 1-118.
    Van Lenthe E; Baerends EJ
    J Comput Chem; 2003 Jul; 24(9):1142-56. PubMed ID: 12759913
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 4s, 5s, 6s, and 7s elements.
    Dyall KG
    J Phys Chem A; 2009 Nov; 113(45):12638-44. PubMed ID: 19670829
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Basis Set Requirements for Sulfur Compounds in Density Functional Theory:  a Comparison between Correlation-Consistent, Polarized-Consistent, and Pople-Type Basis Sets.
    Denis PA
    J Chem Theory Comput; 2005 Sep; 1(5):900-7. PubMed ID: 26641906
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Auxiliary basis sets for density fitting-MP2 calculations: Nonrelativistic triple-zeta all-electron correlation consistent basis sets for the 3d elements Sc-Zn.
    Hill JG; Platts JA
    J Chem Phys; 2008 Jan; 128(4):044104. PubMed ID: 18247927
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Segmented Contracted Error-Consistent Basis Sets of Quadruple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron Calculations.
    Franzke YJ; Spiske L; Pollak P; Weigend F
    J Chem Theory Comput; 2020 Sep; 16(9):5658-5674. PubMed ID: 32786897
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Relativistic and non-relativistic electronic molecular-structure calculations for dimers of 4p-, 5p-, and 6p-block elements.
    Höfener S; Ahlrichs R; Knecht S; Visscher L
    Chemphyschem; 2012 Dec; 13(17):3952-7. PubMed ID: 23011906
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: weighted core-valence correlation consistent basis sets for the 4d elements Y-Pd.
    Hill JG
    J Comput Chem; 2013 Sep; 34(25):2168-77. PubMed ID: 23828233
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon.
    Gusmão EF; Haiduke RLA
    J Comput Chem; 2022 Oct; 43(28):1901-1910. PubMed ID: 36056621
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Correlation consistent basis sets for explicitly correlated wavefunctions: pseudopotential-based basis sets for the post-d main group elements Ga-Rn.
    Hill JG; Peterson KA
    J Chem Phys; 2014 Sep; 141(9):094106. PubMed ID: 25194363
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements.
    Hill JG; Peterson KA
    J Chem Phys; 2017 Dec; 147(24):244106. PubMed ID: 29289120
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Error-Balanced Segmented Contracted Basis Sets of Double-ζ to Quadruple-ζ Valence Quality for the Lanthanides.
    Gulde R; Pollak P; Weigend F
    J Chem Theory Comput; 2012 Nov; 8(11):4062-8. PubMed ID: 26605573
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Benchmark theoretical study on the dissociation energy of chlorine.
    Csontos J; Kállay M
    J Phys Chem A; 2011 Jul; 115(26):7765-72. PubMed ID: 21604724
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 6.