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 *

333 related articles for article (PubMed ID: 28001073)

  • 1. Calculation of Positron Binding Energies and Electron-Positron Annihilation Rates for Atomic Systems with the Reduced Explicitly Correlated Hartree-Fock Method in the Nuclear-Electronic Orbital Framework.
    Brorsen KR; Pak MV; Hammes-Schiffer S
    J Phys Chem A; 2017 Jan; 121(2):515-522. PubMed ID: 28001073
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: applications to positronic molecular systems.
    Sirjoosingh A; Pak MV; Swalina C; Hammes-Schiffer S
    J Chem Phys; 2013 Jul; 139(3):034103. PubMed ID: 23883006
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: theoretical formulation.
    Sirjoosingh A; Pak MV; Swalina C; Hammes-Schiffer S
    J Chem Phys; 2013 Jul; 139(3):034102. PubMed ID: 23883005
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Calculation of the positron annihilation rate in PsH with the positronic extension of the explicitly correlated nuclear-electronic orbital method.
    Pak MV; Chakraborty A; Hammes-Schiffer S
    J Phys Chem A; 2009 Apr; 113(16):4004-8. PubMed ID: 19281179
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Analysis of electron-positron wavefunctions in the nuclear-electronic orbital framework.
    Swalina C; Pak MV; Hammes-Schiffer S
    J Chem Phys; 2012 Apr; 136(16):164105. PubMed ID: 22559468
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method.
    Adamson PE; Duan XF; Burggraf LW; Pak MV; Swalina C; Hammes-Schiffer S
    J Phys Chem A; 2008 Feb; 112(6):1346-51. PubMed ID: 18215029
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems.
    Brorsen KR; Sirjoosingh A; Pak MV; Hammes-Schiffer S
    J Chem Phys; 2015 Jun; 142(21):214108. PubMed ID: 26049480
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach.
    Sirjoosingh A; Pak MV; Brorsen KR; Hammes-Schiffer S
    J Chem Phys; 2015 Jun; 142(21):214107. PubMed ID: 26049479
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation.
    Ikabata Y; Aiba R; Iwanade T; Nishizawa H; Wang F; Nakai H
    J Chem Phys; 2018 May; 148(18):184110. PubMed ID: 29764133
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Excited states of positronic lithium and beryllium.
    Bubin S; Prezhdo OV
    Phys Rev Lett; 2013 Nov; 111(19):193401. PubMed ID: 24266470
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Calculation of electron-hole recombination probability using explicitly correlated Hartree-Fock method.
    Elward JM; Thallinger B; Chakraborty A
    J Chem Phys; 2012 Mar; 136(12):124105. PubMed ID: 22462833
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Calculations of positron binding and annihilation in polyatomic molecules.
    Swann AR; Gribakin GF
    J Chem Phys; 2018 Dec; 149(24):244305. PubMed ID: 30599749
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework.
    Swalina C; Pak MV; Chakraborty A; Hammes-Schiffer S
    J Phys Chem A; 2006 Aug; 110(33):9983-7. PubMed ID: 16913669
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Density matrix formulation of the nuclear-electronic orbital approach with explicit electron-proton correlation.
    Chakraborty A; Hammes-Schiffer S
    J Chem Phys; 2008 Nov; 129(20):204101. PubMed ID: 19045846
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theoretical investigation of the enhancement of positron affinity by the vibration and dimerization of non-polar carbon disulfide.
    Furushima M; Yoshida D; Kita Y; Shimazaki T; Tachikawa M
    Phys Chem Chem Phys; 2021 Oct; 23(38):21512-21520. PubMed ID: 34515275
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions.
    Chakraborty A; Pak MV; Hammes-Schiffer S
    J Chem Phys; 2008 Jul; 129(1):014101. PubMed ID: 18624464
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Electron correlation within the relativistic no-pair approximation.
    Almoukhalalati A; Knecht S; Jensen HJ; Dyall KG; Saue T
    J Chem Phys; 2016 Aug; 145(7):074104. PubMed ID: 27544084
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Localized Hartree product treatment of multiple protons in the nuclear-electronic orbital framework.
    Auer B; Hammes-Schiffer S
    J Chem Phys; 2010 Feb; 132(8):084110. PubMed ID: 20192293
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Simultaneous analytical optimization of variational parameters in Gaussian-type functions with full configuration interaction of multicomponent molecular orbital method by elimination of translational and rotational motions: application to isotopomers of the hydrogen molecule.
    Ishimoto T; Tachikawa M; Nagashima U
    J Chem Phys; 2008 Apr; 128(16):164118. PubMed ID: 18447432
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 17.