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 *

101 related articles for article (PubMed ID: 26609597)

  • 1. AM05 Density Functional Applied to the Water Molecule, Dimer, and Bulk Liquid.
    Mattsson AE; Mattsson TR
    J Chem Theory Comput; 2009 Apr; 5(4):887-94. PubMed ID: 26609597
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Assessing Hubbard-corrected AM05+U and PBEsol+U density functionals for strongly correlated oxides CeO
    Weck PF; Kim E
    Phys Chem Chem Phys; 2016 Sep; 18(38):26816-26826. PubMed ID: 27711607
    [TBL] [Abstract][Full Text] [Related]  

  • 3. The AM05 density functional applied to solids.
    Mattsson AE; Armiento R; Paier J; Kresse G; Wills JM; Mattsson TR
    J Chem Phys; 2008 Feb; 128(8):084714. PubMed ID: 18315079
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Calculation of chemical reaction energies using the AM05 density functional.
    Muller RP; Mattsson AE; Janssen CL
    J Comput Chem; 2010 Jul; 31(9):1860-3. PubMed ID: 20087901
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Performance of exchange-correlation functionals in density functional theory calculations for liquid metal: A benchmark test for sodium.
    Han JH; Oda T
    J Chem Phys; 2018 Apr; 148(14):144501. PubMed ID: 29655361
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Density functional theory study of bulk properties of transition metal nitrides.
    Lynn MO; Ologunagba D; Dangi BB; Kattel S
    Phys Chem Chem Phys; 2023 Feb; 25(6):5156-5163. PubMed ID: 36723016
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Transition-metal 13-atom clusters assessed with solid and surface-biased functionals.
    Piotrowski MJ; Piquini P; Odashima MM; Da Silva JL
    J Chem Phys; 2011 Apr; 134(13):134105. PubMed ID: 21476741
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: the importance of monomer deformations.
    Santra B; Michaelides A; Scheffler M
    J Chem Phys; 2009 Sep; 131(12):124509. PubMed ID: 19791896
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Isomers of the uracil dimer: an ab initio benchmark study.
    Frey JA; Müller A; Losada M; Leutwyler S
    J Phys Chem B; 2007 Apr; 111(13):3534-42. PubMed ID: 17388514
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio phonon dispersions of transition and noble metals: effects of the exchange and correlation functional.
    Dal Corso A
    J Phys Condens Matter; 2013 Apr; 25(14):145401. PubMed ID: 23478149
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Assessment of ten DFT methods in predicting structures of sheet silicates: importance of dispersion corrections.
    Tunega D; Bučko T; Zaoui A
    J Chem Phys; 2012 Sep; 137(11):114105. PubMed ID: 22998247
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Cluster model for the ionic product of water: accuracy and limitations of common density functional methods.
    Svozil D; Jungwirth P
    J Phys Chem A; 2006 Jul; 110(29):9194-9. PubMed ID: 16854033
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals.
    Zhang C; Wu J; Galli G; Gygi F
    J Chem Theory Comput; 2011 Oct; 7(10):3054-61. PubMed ID: 26598149
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals.
    Janthon P; Kozlov SM; Viñes F; Limtrakul J; Illas F
    J Chem Theory Comput; 2013 Mar; 9(3):1631-40. PubMed ID: 26587624
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Isobaric-isothermal molecular dynamics simulations utilizing density functional theory: an assessment of the structure and density of water at near-ambient conditions.
    Schmidt J; VandeVondele J; Kuo IF; Sebastiani D; Siepmann JI; Hutter J; Mundy CJ
    J Phys Chem B; 2009 Sep; 113(35):11959-64. PubMed ID: 19663399
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Improving the density functional theory description of water with self-consistent polarization.
    Murdachaew G; Mundy CJ; Schenter GK
    J Chem Phys; 2010 Apr; 132(16):164102. PubMed ID: 20441253
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics-Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections.
    Lin IC; Seitsonen AP; Tavernelli I; Rothlisberger U
    J Chem Theory Comput; 2012 Oct; 8(10):3902-10. PubMed ID: 26593030
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT; Matus MH; Jackson VE; Vu TN; Rustad JR; Dixon DA
    J Phys Chem A; 2008 Oct; 112(41):10386-98. PubMed ID: 18816037
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Assessment of new meta and hybrid meta density functionals for predicting the geometry and binding energy of a challenging system: the dimer of H2S and benzene.
    Leverentz HR; Truhlar DG
    J Phys Chem A; 2008 Jul; 112(26):6009-16. PubMed ID: 18540587
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.