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 *

239 related articles for article (PubMed ID: 25410795)

  • 1. Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI-MP2 and RI-CC calculations.
    Hellweg A; Rappoport D
    Phys Chem Chem Phys; 2015 Jan; 17(2):1010-7. PubMed ID: 25410795
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities.
    Zaleśny R; Baranowska-Łączkowska A; Medveď M; Luis JM
    J Chem Theory Comput; 2015 Sep; 11(9):4119-28. PubMed ID: 26575907
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Automatic Generation of Auxiliary Basis Sets.
    Stoychev GL; Auer AA; Neese F
    J Chem Theory Comput; 2017 Feb; 13(2):554-562. PubMed ID: 28005364
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Optimization of RI-MP2 auxiliary basis functions for 6-31G** and 6-311G** basis sets for first-, second-, and third-row elements.
    Tanaka M; Katouda M; Nagase S
    J Comput Chem; 2013 Nov; 34(29):2568-75. PubMed ID: 24078462
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Accurate Coulomb-fitting basis sets for H to Rn.
    Weigend F
    Phys Chem Chem Phys; 2006 Mar; 8(9):1057-65. PubMed ID: 16633586
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. 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]  

  • 10. 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]  

  • 11. Auxiliary basis sets for density-fitted correlated wavefunction calculations: weighted core-valence and ECP basis sets for post-d elements.
    Hättig C; Schmitz G; Kossmann J
    Phys Chem Chem Phys; 2012 May; 14(18):6549-55. PubMed ID: 22456716
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Canonical and DLPNO-Based G4(MP2)XK-Inspired Composite Wave Function Methods Parametrized against Large and Chemically Diverse Training Sets: Are They More Accurate and/or Robust than Double-Hybrid DFT?
    Semidalas E; Martin JML
    J Chem Theory Comput; 2020 Jul; 16(7):4238-4255. PubMed ID: 32456427
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. 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]  

  • 15. 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]  

  • 16. Chalcogen bonds: Hierarchical ab initio benchmark and density functional theory performance study.
    de Azevedo Santos L; Ramalho TC; Hamlin TA; Bickelhaupt FM
    J Comput Chem; 2021 Apr; 42(10):688-698. PubMed ID: 33543482
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Hartree-Fock exchange fitting basis sets for H to Rn.
    Weigend F
    J Comput Chem; 2008 Jan; 29(2):167-75. PubMed ID: 17568435
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Optimized auxiliary basis sets for explicitly correlated methods.
    Yousaf KE; Peterson KA
    J Chem Phys; 2008 Nov; 129(18):184108. PubMed ID: 19045387
    [TBL] [Abstract][Full Text] [Related]  

  • 19. General orbital invariant MP2-F12 theory.
    Werner HJ; Adler TB; Manby FR
    J Chem Phys; 2007 Apr; 126(16):164102. PubMed ID: 17477584
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: application to alanine tetrapeptide conformational analysis.
    Distasio RA; Steele RP; Rhee YM; Shao Y; Head-Gordon M
    J Comput Chem; 2007 Apr; 28(5):839-56. PubMed ID: 17219361
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.