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 *

182 related articles for article (PubMed ID: 16392471)

  • 1. DFT-based chemical reactivity indices in the Hartree-Fock method. II. Fukui function, chemical potential, and hardness.
    Balawender R; Geerlings P
    J Chem Phys; 2005 Sep; 123(12):124103. PubMed ID: 16392471
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Density-functional theory-based chemical reactivity indices in the Hartree-Fock method. I. Unrestricted Hartree-Fock method for a noninteger number of electrons.
    Balawender R; Geerlings P
    J Chem Phys; 2005 Sep; 123(12):124102. PubMed ID: 16392470
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Chemical reactivity in the framework of pair density functional theories.
    Otero N; Mandado M
    J Comput Chem; 2012 May; 33(13):1240-51. PubMed ID: 22392363
    [TBL] [Abstract][Full Text] [Related]  

  • 5. On the foundations of chemical reactivity theory.
    Cohen MH; Wasserman A
    J Phys Chem A; 2007 Mar; 111(11):2229-42. PubMed ID: 17388293
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Fractional Electron Loss in Approximate DFT and Hartree-Fock Theory.
    Peach MJ; Teale AM; Helgaker T; Tozer DJ
    J Chem Theory Comput; 2015 Nov; 11(11):5262-8. PubMed ID: 26574320
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Spin- and charge-density waves in the Hartree-Fock ground state of the two-dimensional Hubbard model.
    Xu J; Chang CC; Walter EJ; Zhang S
    J Phys Condens Matter; 2011 Dec; 23(50):505601. PubMed ID: 22127010
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Qualitative breakdown of the unrestricted Hartree-Fock energy.
    Mori-Sánchez P; Cohen AJ
    J Chem Phys; 2014 Oct; 141(16):164124. PubMed ID: 25362289
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Consequences of spin contamination in unrestricted calculations on open-shell species: effect of Hartree-Fock and Møller-Plesset contributions in hybrid and double-hybrid density functional theory approaches.
    Menon AS; Radom L
    J Phys Chem A; 2008 Dec; 112(50):13225-30. PubMed ID: 18759419
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Hartree-Fock critical nuclear charge in two-electron atoms.
    Burton HGA
    J Chem Phys; 2021 Mar; 154(11):111103. PubMed ID: 33752345
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems.
    Huntington LMJ; Krupička M; Neese F; Izsák R
    J Chem Phys; 2017 Nov; 147(17):174104. PubMed ID: 29117690
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Variations of the Hartree-Fock fractional-spin error for one electron.
    Burton HGA; Marut C; Daas TJ; Gori-Giorgi P; Loos PF
    J Chem Phys; 2021 Aug; 155(5):054107. PubMed ID: 34364354
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Finding symmetry breaking Hartree-Fock solutions: The case of triplet instability.
    Tóth Z; Pulay P
    J Chem Phys; 2016 Oct; 145(16):164102. PubMed ID: 27802634
    [TBL] [Abstract][Full Text] [Related]  

  • 14. On the nature of electron correlation in C60.
    Stück D; Baker TA; Zimmerman P; Kurlancheek W; Head-Gordon M
    J Chem Phys; 2011 Nov; 135(19):194306. PubMed ID: 22112081
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Geminal perturbation theory based on the unrestricted Hartree-Fock wavefunction.
    Földvári D; Tóth Z; Surján PR; Szabados Á
    J Chem Phys; 2019 Jan; 150(3):034103. PubMed ID: 30660159
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A nonempirical scaling correction approach for density functional methods involving substantial amount of Hartree-Fock exchange.
    Zheng X; Zhou T; Yang W
    J Chem Phys; 2013 May; 138(17):174105. PubMed ID: 23656112
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The Woodward-Hoffmann rules reinterpreted by conceptual density functional theory.
    Geerlings P; Ayers PW; Toro-Labbé A; Chattaraj PK; De Proft F
    Acc Chem Res; 2012 May; 45(5):683-95. PubMed ID: 22283422
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree-Fock Theory.
    Nascimento DR; DePrince AE
    J Chem Theory Comput; 2018 May; 14(5):2418-2426. PubMed ID: 29595979
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Finite-temperature coupled-cluster, many-body perturbation, and restricted and unrestricted Hartree-Fock study on one-dimensional solids: Luttinger liquids, Peierls transitions, and spin- and charge-density waves.
    Hermes MR; Hirata S
    J Chem Phys; 2015 Sep; 143(10):102818. PubMed ID: 26374011
    [TBL] [Abstract][Full Text] [Related]  

  • 20. New coupled cluster approaches based on the unrestricted Hartree-Fock reference for treating molecules with multireference character.
    Shen J; Xu E; Kou Z; Li S
    Phys Chem Chem Phys; 2011 May; 13(19):8795-804. PubMed ID: 21448471
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.