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 *

146 related articles for article (PubMed ID: 15303904)

  • 1. Calculation of exchange-correlation potentials with auxiliary function densities.
    Köster AM; Reveles JU; del Campo JM
    J Chem Phys; 2004 Aug; 121(8):3417-24. PubMed ID: 15303904
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The limitations of Slater's element-dependent exchange functional from analytic density-functional theory.
    Zope RR; Dunlap BI
    J Chem Phys; 2006 Jan; 124(4):044107. PubMed ID: 16460149
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Auxiliary density perturbation theory.
    Flores-Moreno R; Köster AM
    J Chem Phys; 2008 Apr; 128(13):134105. PubMed ID: 18397051
    [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. Gaussian-4 theory.
    Curtiss LA; Redfern PC; Raghavachari K
    J Chem Phys; 2007 Feb; 126(8):084108. PubMed ID: 17343441
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Atomic Cholesky decompositions: a route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency.
    Aquilante F; Gagliardi L; Pedersen TB; Lindh R
    J Chem Phys; 2009 Apr; 130(15):154107. PubMed ID: 19388736
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Efficient evaluation of the Coulomb force in the Gaussian and finite-element Coulomb method.
    Kurashige Y; Nakajima T; Sato T; Hirao K
    J Chem Phys; 2010 Jun; 132(24):244107. PubMed ID: 20590181
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Core-excitation energy calculations with a long-range corrected hybrid exchange-correlation functional including a short-range Gaussian attenuation (LCgau-BOP).
    Song JW; Watson MA; Nakata A; Hirao K
    J Chem Phys; 2008 Nov; 129(18):184113. PubMed ID: 19045392
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization.
    de Jong GT; Solà M; Visscher L; Bickelhaupt FM
    J Chem Phys; 2004 Nov; 121(20):9982-92. PubMed ID: 15549873
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Robust and efficient variational fitting of Fock exchange.
    Mejía-Rodríguez D; Köster AM
    J Chem Phys; 2014 Sep; 141(12):124114. PubMed ID: 25273419
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Optimal grids for generalized finite basis and discrete variable representations: definition and method of calculation.
    Szalay V
    J Chem Phys; 2006 Oct; 125(15):154115. PubMed ID: 17059247
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Analytical time-dependent density functional derivative methods within the RI-J approximation, an approach to excited states of large molecules.
    Rappoport D; Furche F
    J Chem Phys; 2005 Feb; 122(6):064105. PubMed ID: 15740365
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study.
    De Jong GT; Geerke DP; Diefenbach A; Solà M; Bickelhaupt FM
    J Comput Chem; 2005 Jul; 26(10):1006-20. PubMed ID: 15880815
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Virial exchange energies from model exact-exchange potentials.
    Gaiduk AP; Staroverov VN
    J Chem Phys; 2008 May; 128(20):204101. PubMed ID: 18513004
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Method specific Cholesky decomposition: coulomb and exchange energies.
    Boman L; Koch H; Sánchez de Merás A
    J Chem Phys; 2008 Oct; 129(13):134107. PubMed ID: 19045078
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Accurate calculation of the heats of formation for large main group compounds with spin-component scaled MP2 methods.
    Grimme S
    J Phys Chem A; 2005 Apr; 109(13):3067-77. PubMed ID: 16833631
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Theoretical study of the fragmentation pathways of norbornane in its doubly ionized ground state.
    Knippenberg S; Hajgató B; François JP; Deleuze MS
    J Phys Chem A; 2007 Oct; 111(42):10834-48. PubMed ID: 17915841
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.