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 *

212 related articles for article (PubMed ID: 26328831)

  • 1. Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method.
    Sinha D; Pavanello M
    J Chem Phys; 2015 Aug; 143(8):084120. PubMed ID: 26328831
    [TBL] [Abstract][Full Text] [Related]  

  • 2. FDE-vdW: A van der Waals inclusive subsystem density-functional theory.
    Kevorkyants R; Eshuis H; Pavanello M
    J Chem Phys; 2014 Jul; 141(4):044127. PubMed ID: 25084901
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Periodic subsystem density-functional theory.
    Genova A; Ceresoli D; Pavanello M
    J Chem Phys; 2014 Nov; 141(17):174101. PubMed ID: 25381496
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Frozen density embedding with hybrid functionals.
    Laricchia S; Fabiano E; Della Sala F
    J Chem Phys; 2010 Oct; 133(16):164111. PubMed ID: 21033779
    [TBL] [Abstract][Full Text] [Related]  

  • 5. GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals.
    Shao X; Mi W; Pavanello M
    J Chem Theory Comput; 2021 Jun; 17(6):3455-3461. PubMed ID: 33983729
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Excitation energies from frozen-density embedding with accurate embedding potentials.
    Artiukhin DG; Jacob CR; Neugebauer J
    J Chem Phys; 2015 Jun; 142(23):234101. PubMed ID: 26093544
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Topological analysis of electron densities from Kohn-Sham and subsystem density functional theory.
    Kiewisch K; Eickerling G; Reiher M; Neugebauer J
    J Chem Phys; 2008 Jan; 128(4):044114. PubMed ID: 18247937
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Performance of Frozen Density Embedding for Modeling Hole Transfer Reactions.
    Ramos P; Papadakis M; Pavanello M
    J Phys Chem B; 2015 Jun; 119(24):7541-57. PubMed ID: 25845645
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Electronic Exchange and Correlation in van der Waals Systems: Balancing Semilocal and Nonlocal Energy Contributions.
    Hermann J; Tkatchenko A
    J Chem Theory Comput; 2018 Mar; 14(3):1361-1369. PubMed ID: 29447445
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Exact nonadditive kinetic potentials for embedded density functional theory.
    Goodpaster JD; Ananth N; Manby FR; Miller TF
    J Chem Phys; 2010 Aug; 133(8):084103. PubMed ID: 20815556
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation theorem and the exact-exchange kernel.
    Bleiziffer P; Krug M; Görling A
    J Chem Phys; 2015 Jun; 142(24):244108. PubMed ID: 26133411
    [TBL] [Abstract][Full Text] [Related]  

  • 12. On the accuracy of frozen density embedding calculations with hybrid and orbital-dependent functionals for non-bonded interaction energies.
    Laricchia S; Fabiano E; Della Sala F
    J Chem Phys; 2012 Jul; 137(1):014102. PubMed ID: 22779632
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Subsystem-DFT potential-energy curves for weakly interacting systems.
    Schlüns D; Klahr K; Mück-Lichtenfeld C; Visscher L; Neugebauer J
    Phys Chem Chem Phys; 2015 Jun; 17(22):14323-41. PubMed ID: 25536412
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Frozen Density Embedding with External Orthogonality in Delocalized Covalent Systems.
    Chulhai DV; Jensen L
    J Chem Theory Comput; 2015 Jul; 11(7):3080-8. PubMed ID: 26575744
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Subsystem real-time time dependent density functional theory.
    Krishtal A; Ceresoli D; Pavanello M
    J Chem Phys; 2015 Apr; 142(15):154116. PubMed ID: 25903875
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals.
    Śmiga S; Fabiano E; Laricchia S; Constantin LA; Della Sala F
    J Chem Phys; 2015 Apr; 142(15):154121. PubMed ID: 25903880
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Bond energy decomposition analysis for subsystem density functional theory.
    Beyhan SM; Götz AW; Visscher L
    J Chem Phys; 2013 Mar; 138(9):094113. PubMed ID: 23485283
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Embedded density functional theory for covalently bonded and strongly interacting subsystems.
    Goodpaster JD; Barnes TA; Miller TF
    J Chem Phys; 2011 Apr; 134(16):164108. PubMed ID: 21528951
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Calculating Molecular Polarizabilities Using Exact Frozen Density Embedding with External Orthogonality.
    Hu G; Liu P; Jensen L
    J Chem Theory Comput; 2024 Aug; ():. PubMed ID: 39105755
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Polarizable Frozen Density Embedding with External Orthogonalization.
    Pal PP; Liu P; Jensen L
    J Chem Theory Comput; 2019 Dec; 15(12):6588-6596. PubMed ID: 31638803
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.