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 *

134 related articles for article (PubMed ID: 31738554)

  • 1. The ANO-R Basis Set.
    Zobel JP; Widmark PO; Veryazov V
    J Chem Theory Comput; 2020 Jan; 16(1):278-294. PubMed ID: 31738554
    [TBL] [Abstract][Full Text] [Related]  

  • 2. New compact density matrix averaged ANO basis sets for relativistic calculations.
    Widmark PO; Zobel JP; Vysotskiy VP; Tsuchiya T; Veryazov V
    J Chem Phys; 2018 Nov; 149(19):194102. PubMed ID: 30466284
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Coupled-cluster based basis sets for valence correlation calculations.
    Claudino D; Gargano R; Bartlett RJ
    J Chem Phys; 2016 Mar; 144(10):104106. PubMed ID: 26979680
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Segmented Contracted Error-Consistent Basis Sets of Double- and Triple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron Calculations.
    Pollak P; Weigend F
    J Chem Theory Comput; 2017 Aug; 13(8):3696-3705. PubMed ID: 28679044
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A new computational framework for spinor-based relativistic exact two-component calculations using contracted basis functions.
    Zhang C; Peterson KA; Dyall KG; Cheng L
    J Chem Phys; 2024 Aug; 161(5):. PubMed ID: 39087536
    [TBL] [Abstract][Full Text] [Related]  

  • 8. All-electron scalar relativistic basis sets for the elements Rb-Xe.
    Rolfes JD; Neese F; Pantazis DA
    J Comput Chem; 2020 Jul; 41(20):1842-1849. PubMed ID: 32484577
    [TBL] [Abstract][Full Text] [Related]  

  • 9. New relativistic atomic natural orbital basis sets for lanthanide atoms with applications to the Ce diatom and LuF3.
    Roos BO; Lindh R; Malmqvist PA; Veryazov V; Widmark PO; Borin AC
    J Phys Chem A; 2008 Nov; 112(45):11431-5. PubMed ID: 18928264
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Property-optimized Gaussian basis sets for lanthanides.
    Rappoport D
    J Chem Phys; 2021 Sep; 155(12):124102. PubMed ID: 34598572
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Coupled-cluster based basis sets for valence correlation calculations. New primitives, frozen atomic natural orbitals, and basis sets from double to hextuple zeta for atoms H, He, and B-Ne.
    Claudino D; Bartlett RJ
    J Chem Phys; 2018 Aug; 149(6):064105. PubMed ID: 30111150
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Property-optimized gaussian basis sets for molecular response calculations.
    Rappoport D; Furche F
    J Chem Phys; 2010 Oct; 133(13):134105. PubMed ID: 20942521
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 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. Unusual magnetic properties of mixed-valence system: multiconfigurational method theoretical study on Mn2+ cation.
    Wang B; Chen Z
    J Chem Phys; 2005 Oct; 123(13):134306. PubMed ID: 16223287
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Unifying General and Segmented Contracted Basis Sets. Segmented Polarization Consistent Basis Sets.
    Jensen F
    J Chem Theory Comput; 2014 Mar; 10(3):1074-85. PubMed ID: 26580184
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling.
    Liu J; Cheng L
    J Chem Phys; 2018 Apr; 148(14):144108. PubMed ID: 29655325
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An atom-in-molecule adaptive polarized valence single-ζ atomic orbital basis for electronic structure calculations.
    Müller M; Hansen A; Grimme S
    J Chem Phys; 2023 Oct; 159(16):. PubMed ID: 37877480
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.