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 *

178 related articles for article (PubMed ID: 26132076)

  • 1. Electronic Energy Levels and Band Alignment for Aqueous Phenol and Phenolate from First Principles.
    Opalka D; Pham TA; Sprik M; Galli G
    J Phys Chem B; 2015 Jul; 119(30):9651-60. PubMed ID: 26132076
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The ionization potential of aqueous hydroxide computed using many-body perturbation theory.
    Opalka D; Pham TA; Sprik M; Galli G
    J Chem Phys; 2014 Jul; 141(3):034501. PubMed ID: 25053320
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Accurate Valence Ionization Energies from Kohn-Sham Eigenvalues with the Help of Potential Adjustors.
    Thierbach A; Neiss C; Gallandi L; Marom N; Körzdörfer T; Görling A
    J Chem Theory Comput; 2017 Oct; 13(10):4726-4740. PubMed ID: 28783360
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ionization potentials of semiconductors from first-principles.
    Jiang H; Shen YC
    J Chem Phys; 2013 Oct; 139(16):164114. PubMed ID: 24182011
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Exploring the aqueous vertical ionization of organic molecules by molecular simulation and liquid microjet photoelectron spectroscopy.
    Tentscher PR; Seidel R; Winter B; Guerard JJ; Arey JS
    J Phys Chem B; 2015 Jan; 119(1):238-56. PubMed ID: 25516011
    [TBL] [Abstract][Full Text] [Related]  

  • 6. First-principle protocol for calculating ionization energies and redox potentials of solvated molecules and ions: theory and application to aqueous phenol and phenolate.
    Ghosh D; Roy A; Seidel R; Winter B; Bradforth S; Krylov AI
    J Phys Chem B; 2012 Jun; 116(24):7269-80. PubMed ID: 22497288
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Structural and electronic properties of ZrX2)and HfX2 (X=S and Se) from first principles calculations.
    Jiang H
    J Chem Phys; 2011 May; 134(20):204705. PubMed ID: 21639465
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Solute-Solvent Charge-Transfer Excitations and Optical Absorption of Hydrated Hydroxide from Time-Dependent Density-Functional Theory.
    Opalka D; Sprik M
    J Chem Theory Comput; 2014 Jun; 10(6):2465-70. PubMed ID: 26580766
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Communication: electronic structure of the solvated chloride anion from first principles molecular dynamics.
    Zhang C; Pham TA; Gygi F; Galli G
    J Chem Phys; 2013 May; 138(18):181102. PubMed ID: 23676018
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory.
    Demján T; Vörös M; Palummo M; Gali A
    J Chem Phys; 2014 Aug; 141(6):064308. PubMed ID: 25134572
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Aqueous Redox Chemistry and the Electronic Band Structure of Liquid Water.
    Adriaanse C; Cheng J; Chau V; Sulpizi M; VandeVondele J; Sprik M
    J Phys Chem Lett; 2012 Dec; 3(23):3411-5. PubMed ID: 26290964
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Valence photoemission spectra of aqueous Fe(2+/3+) and [Fe(CN)6](4-/3-) and their interpretation by DFT calculations.
    Seidel R; Thürmer S; Moens J; Geerlings P; Blumberger J; Winter B
    J Phys Chem B; 2011 Oct; 115(40):11671-7. PubMed ID: 21809848
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Photoelectron Spectra of Aqueous Solutions from First Principles.
    Gaiduk AP; Govoni M; Seidel R; Skone JH; Winter B; Galli G
    J Am Chem Soc; 2016 Jun; 138(22):6912-5. PubMed ID: 27105336
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Unravelling the role of the central metal ion in the electronic structure of tris(8-hydroxyquinoline) metal chelates: photoemission spectroscopy and hybrid functional calculations.
    Bisti F; Stroppa A; Donarelli M; Anemone G; Perrozzi F; Picozzi S; Ottaviano L
    J Phys Chem A; 2012 Nov; 116(47):11548-52. PubMed ID: 23106099
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Single-ion reorganization free energy of aqueous Ru(bpy)32+/3+ and Ru(H2O)62+/3+ from photoemission spectroscopy and density functional molecular dynamics simulation.
    Seidel R; Faubel M; Winter B; Blumberger J
    J Am Chem Soc; 2009 Nov; 131(44):16127-37. PubMed ID: 19831354
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Estimate of the Coulomb correlation energy in CeAg2Ge2 from inverse photoemission and high resolution photoemission spectroscopy.
    Banik S; Arya A; Bendounan A; Maniraj M; Thamizhavel A; Vobornik I; Dhar SK; Deb SK
    J Phys Condens Matter; 2014 Aug; 26(33):335502. PubMed ID: 25077518
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Alignment of electronic energy levels at electrochemical interfaces.
    Cheng J; Sprik M
    Phys Chem Chem Phys; 2012 Aug; 14(32):11245-67. PubMed ID: 22806244
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Kohn-Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage.
    Rudberg E; Rubensson EH; Sałek P
    J Chem Theory Comput; 2011 Feb; 7(2):340-50. PubMed ID: 26596156
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Density functional theory study of the electronic structure of fluorite Cu2Se.
    Råsander M; Bergqvist L; Delin A
    J Phys Condens Matter; 2013 Mar; 25(12):125503. PubMed ID: 23448862
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The Kohn-Sham density of states and band gap of water: from small clusters to liquid water.
    Cabral do Couto P; Estácio SG; Costa Cabral BJ
    J Chem Phys; 2005 Aug; 123(5):054510. PubMed ID: 16108672
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.