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 *

759 related articles for article (PubMed ID: 15740310)

  • 1. Cubic response functions in time-dependent density functional theory.
    Jansik B; Sałek P; Jonsson D; Vahtras O; Agren H
    J Chem Phys; 2005 Feb; 122(5):54107. PubMed ID: 15740310
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio correlation functionals from second-order perturbation theory.
    Schweigert IV; Lotrich VF; Bartlett RJ
    J Chem Phys; 2006 Sep; 125(10):104108. PubMed ID: 16999516
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Away from generalized gradient approximation: orbital-dependent exchange-correlation functionals.
    Baerends EJ; Gritsenko OV
    J Chem Phys; 2005 Aug; 123(6):62202. PubMed ID: 16122288
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Orbital- and state-dependent functionals in density-functional theory.
    Görling A
    J Chem Phys; 2005 Aug; 123(6):62203. PubMed ID: 16122289
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionals.
    Imamura Y; Otsuka T; Nakai H
    J Comput Chem; 2007 Sep; 28(12):2067-74. PubMed ID: 17436256
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Static and dynamic second hyperpolarizability calculated by time-dependent density functional cubic response theory with local contribution and natural bond orbital analysis.
    Ye A; Patchkovskii S; Autschbach J
    J Chem Phys; 2007 Aug; 127(7):074104. PubMed ID: 17718603
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Time-dependent exchange-correlation current density functionals with memory.
    Kurzweil Y; Baer R
    J Chem Phys; 2004 Nov; 121(18):8731-41. PubMed ID: 15527336
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Analytical evaluation of Fukui functions and real-space linear response function.
    Yang W; Cohen AJ; De Proft F; Geerlings P
    J Chem Phys; 2012 Apr; 136(14):144110. PubMed ID: 22502504
    [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. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S; Neese F
    J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Comparison of density functionals for energy and structural differences between the high- [5T2g:(t2g)4(eg)2] and low- [1A1g:(t2g)6(eg)0] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+.
    Fouqueau A; Casida ME; Lawson Daku LM; Hauser A; Neese F
    J Chem Phys; 2005 Jan; 122(4):44110. PubMed ID: 15740238
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Fluctuation-dissipation theorem density-functional theory.
    Furche F; Van Voorhis T
    J Chem Phys; 2005 Apr; 122(16):164106. PubMed ID: 15945671
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Density functional theory investigation of the polarizability and second hyperpolarizability of polydiacetylene and polybutatriene chains: treatment of exact exchange and role of correlation.
    Champagne B; Bulat FA; Yang W; Bonness S; Kirtman B
    J Chem Phys; 2006 Nov; 125(19):194114. PubMed ID: 17129096
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Calculations of static and dynamic polarizabilities of excited states by means of density functional theory.
    Jansik B; Jonsson D; Sałek P; Agren H
    J Chem Phys; 2004 Oct; 121(16):7595-600. PubMed ID: 15485219
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets.
    Thorvaldsen AJ; Ruud K; Kristensen K; Jørgensen P; Coriani S
    J Chem Phys; 2008 Dec; 129(21):214108. PubMed ID: 19063545
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Lagrangian approach to molecular vibrational Raman intensities using time-dependent hybrid density functional theory.
    Rappoport D; Furche F
    J Chem Phys; 2007 May; 126(20):201104. PubMed ID: 17552747
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability.
    Suponitsky KY; Tafur S; Masunov AE
    J Chem Phys; 2008 Jul; 129(4):044109. PubMed ID: 18681636
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Random-phase-approximation-based correlation energy functionals: benchmark results for atoms.
    Jiang H; Engel E
    J Chem Phys; 2007 Nov; 127(18):184108. PubMed ID: 18020631
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Calculation of the first static hyperpolarizability tensor of three-dimensional periodic compounds with a local basis set: A comparison of LDA, PBE, PBE0, B3LYP, and HF results.
    Orlando R; Lacivita V; Bast R; Ruud K
    J Chem Phys; 2010 Jun; 132(24):244106. PubMed ID: 20590180
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Semiempirical hybrid density functional with perturbative second-order correlation.
    Grimme S
    J Chem Phys; 2006 Jan; 124(3):034108. PubMed ID: 16438568
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 38.