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 *

129 related articles for article (PubMed ID: 22528614)

  • 1. ERKALE-A flexible program package for X-ray properties of atoms and molecules.
    Lehtola J; Hakala M; Sakko A; Hämäläinen K
    J Comput Chem; 2012 Jul; 33(18):1572-85. PubMed ID: 22528614
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Calculation of isotropic Compton profiles with Gaussian basis sets.
    Lehtola J; Hakala M; Vaara J; Hämäläinen K
    Phys Chem Chem Phys; 2011 Apr; 13(13):5630-41. PubMed ID: 21283842
    [TBL] [Abstract][Full Text] [Related]  

  • 3. On the basis-set dependence of local and integrated electron density properties: Application of a new computer program for quantum-chemical density analysis.
    Volkov A; Koritsanszky T; Chodkiewicz M; King HF
    J Comput Chem; 2009 Jul; 30(9):1379-91. PubMed ID: 19031414
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Time-dependent density functional theory calculations for core-excited states: assessment of standard exchange-correlation functionals and development of a novel hybrid functional.
    Nakata A; Imamura Y; Otsuka T; Nakai H
    J Chem Phys; 2006 Mar; 124(9):94105. PubMed ID: 16526843
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. 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]  

  • 8. An investigation of valence shell orbital momentum profiles of difluoromethane by binary (e,2e) spectroscopy.
    Su GL; Ning CG; Zhang SF; Ren XG; Zhou H; Li B; Huang F; Li GQ; Deng JK
    J Chem Phys; 2005 Feb; 122(5):54301. PubMed ID: 15740316
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Contraction of completeness-optimized basis sets: application to ground-state electron momentum densities.
    Lehtola S; Manninen P; Hakala M; Hämäläinen K
    J Chem Phys; 2013 Jan; 138(4):044109. PubMed ID: 23387570
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory.
    Rohrdanz MA; Herbert JM
    J Chem Phys; 2008 Jul; 129(3):034107. PubMed ID: 18647016
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Robust Periodic Hartree-Fock Exchange for Large-Scale Simulations Using Gaussian Basis Sets.
    Guidon M; Hutter J; VandeVondele J
    J Chem Theory Comput; 2009 Nov; 5(11):3010-21. PubMed ID: 26609981
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The outer valance orbital electron densities of cyclopentane by binary (e,2e) spectroscopy.
    Deng JK; Li GQ; Wang F; Su GL; Ning CG; Zhang T; Ren XG; Wang Y; Zheng Y
    J Chem Phys; 2004 Jun; 120(21):10009-14. PubMed ID: 15268021
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Functional and basis set dependence of K-edge shake-up spectra of molecules.
    Brena B; Carniato S; Luo Y
    J Chem Phys; 2005 May; 122(18):184316. PubMed ID: 15918713
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Electron momentum spectroscopy of CF2Cl2: experimental and theoretical momentum profiles for outer valence orbitals.
    Chen X; Zhou L; Zhang X; Yin X; Xu C; Shan X; Wei Z; Xu K
    J Chem Phys; 2004 May; 120(17):7933-8. PubMed ID: 15267708
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Extrapolation of electron correlation energies to finite and complete basis set targets.
    Bakowies D
    J Chem Phys; 2007 Aug; 127(8):084105. PubMed ID: 17764227
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Completeness-optimized basis sets: application to ground-state electron momentum densities.
    Lehtola J; Manninen P; Hakala M; Hämäläinen K
    J Chem Phys; 2012 Sep; 137(10):104105. PubMed ID: 22979848
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Valence electronic structures of CH2BrCl and CF2BrCl: binding energy spectra and electron momentum distributions.
    Li ZJ; Shan X; Yang XF; Chen LQ; Xu KZ; Chen XJ
    J Phys Chem A; 2008 Feb; 112(5):942-9. PubMed ID: 18189377
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Gaussian basis set of double zeta quality for atoms K through Kr: application in DFT calculations of molecular properties.
    Camiletti GG; Machado SF; Jorge FE
    J Comput Chem; 2008 Nov; 29(14):2434-44. PubMed ID: 18612996
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.