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 *

178 related articles for article (PubMed ID: 21054001)

  • 21. 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]  

  • 22. Relativistic energy-consistent pseudopotentials for superheavy elements 119 and 120 including quantum electrodynamic effects.
    Hangele T; Dolg M; Schwerdtfeger P
    J Chem Phys; 2013 May; 138(17):174113. PubMed ID: 23656120
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Closed-shell coupled-cluster theory with spin-orbit coupling.
    Wang F; Gauss J; van Wüllen C
    J Chem Phys; 2008 Aug; 129(6):064113. PubMed ID: 18715057
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Relativistic Segmented Correlation Consistent Basis Sets for the 5p and 6p Elements.
    Schoendorff G; Boatz JA
    J Phys Chem A; 2022 Jul; ():. PubMed ID: 35852220
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. Multiconfiguration Dirac-Hartree-Fock adjusted energy-consistent pseudopotential for uranium: spin-orbit configuration interaction and Fock-space coupled-cluster study of U4+ and U5+.
    Weigand A; Cao X; Vallet V; Flament JP; Dolg M
    J Phys Chem A; 2009 Oct; 113(43):11509-16. PubMed ID: 19601603
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.
    Weigend F; Ahlrichs R
    Phys Chem Chem Phys; 2005 Sep; 7(18):3297-305. PubMed ID: 16240044
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Correlation consistent basis sets for explicitly correlated wavefunctions: valence and core-valence basis sets for Li, Be, Na, and Mg.
    Hill JG; Peterson KA
    Phys Chem Chem Phys; 2010 Sep; 12(35):10460-8. PubMed ID: 20603665
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Relativistic small-core pseudopotentials for actinium, thorium, and protactinium.
    Weigand A; Cao X; Hangele T; Dolg M
    J Phys Chem A; 2014 Apr; 118(13):2519-30. PubMed ID: 24628327
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Utilizing relativistic effective core potentials for accurate calculations of molecular polarizabilities on transition metal compounds.
    Labello NP; Ferreira AM; Kurtz HA
    J Phys Chem A; 2006 Dec; 110(50):13507-13. PubMed ID: 17165877
    [TBL] [Abstract][Full Text] [Related]  

  • 31. 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]  

  • 32. Relativistic energy-consistent pseudopotentials--recent developments.
    Stoll H; Metz B; Dolg M
    J Comput Chem; 2002 Jun; 23(8):767-78. PubMed ID: 12012353
    [TBL] [Abstract][Full Text] [Related]  

  • 33. 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]  

  • 34. 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]  

  • 35. On the accuracy of one-component pseudopotential spin-orbit calculations.
    Fromager E; Visscher L; Maron L; Teichteil C
    J Chem Phys; 2005 Oct; 123(16):164105. PubMed ID: 16268679
    [TBL] [Abstract][Full Text] [Related]  

  • 36. 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]  

  • 37. Applications of effective core potentials and density functional theory to the spin states of iron porphyrin.
    Liu YP
    J Chem Inf Comput Sci; 2001; 41(1):22-9. PubMed ID: 11206377
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Complete basis set prediction of methanol isotropic nuclear magnetic shieldings and indirect nuclear spin-spin coupling constants (SSCC) using polarization-consistent and XZP basis sets and B3LYP and BHandH density functionals.
    Kupka T
    Magn Reson Chem; 2009 Aug; 47(8):674-83. PubMed ID: 19431153
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Compact and efficient basis sets of s- and p-block elements for model core potential method.
    Miyoshi E; Mori H; Hirayama R; Osanai Y; Noro T; Honda H; Klobukowski M
    J Chem Phys; 2005 Feb; 122(7):074104. PubMed ID: 15743218
    [TBL] [Abstract][Full Text] [Related]  

  • 40. 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]  

    [Previous]   [Next]    [New Search]
    of 9.