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 *

186 related articles for article (PubMed ID: 24387379)

  • 1. First-principles energetics of water clusters and ice: a many-body analysis.
    Gillan MJ; Alfè D; Bartók AP; Csányi G
    J Chem Phys; 2013 Dec; 139(24):244504. PubMed ID: 24387379
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Analyzing the errors of DFT approximations for compressed water systems.
    Alfè D; Bartók AP; Csányi G; Gillan MJ
    J Chem Phys; 2014 Jul; 141(1):014104. PubMed ID: 25005274
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters.
    Gillan MJ; Manby FR; Towler MD; Alfè D
    J Chem Phys; 2012 Jun; 136(24):244105. PubMed ID: 22755563
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Communication: energy benchmarking with quantum Monte Carlo for water nano-droplets and bulk liquid water.
    Alfè D; Bartók AP; Csányi G; Gillan MJ
    J Chem Phys; 2013 Jun; 138(22):221102. PubMed ID: 23781773
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Energy benchmarks for water clusters and ice structures from an embedded many-body expansion.
    Gillan MJ; Alfè D; Bygrave PJ; Taylor CR; Manby FR
    J Chem Phys; 2013 Sep; 139(11):114101. PubMed ID: 24070273
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Perspective: How good is DFT for water?
    Gillan MJ; Alfè D; Michaelides A
    J Chem Phys; 2016 Apr; 144(13):130901. PubMed ID: 27059554
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. A density-functional theory-based neural network potential for water clusters including van der Waals corrections.
    Morawietz T; Behler J
    J Phys Chem A; 2013 Aug; 117(32):7356-66. PubMed ID: 23557541
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Energy benchmarks for methane-water systems from quantum Monte Carlo and second-order Møller-Plesset calculations.
    Gillan MJ; Alfè D; Manby FR
    J Chem Phys; 2015 Sep; 143(10):102812. PubMed ID: 26374005
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Benchmarking DFT and semiempirical methods on structures and lattice energies for ten ice polymorphs.
    Brandenburg JG; Maas T; Grimme S
    J Chem Phys; 2015 Mar; 142(12):124104. PubMed ID: 25833562
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Many-body exchange-overlap interactions in rare gases and water.
    Gillan MJ
    J Chem Phys; 2014 Dec; 141(22):224106. PubMed ID: 25494731
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Accurate Relative Energies and Binding Energies of Large Ice-Liquid Water Clusters and Periodic Structures.
    Zhang L; Li W; Fang T; Li S
    J Phys Chem A; 2017 May; 121(20):4030-4038. PubMed ID: 28414444
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Assessment of density functional theory to calculate the phase transition pressure of ice.
    Kambara O; Takahashi K; Hayashi M; Kuo JL
    Phys Chem Chem Phys; 2012 Aug; 14(32):11484-90. PubMed ID: 22801771
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Assessing the Interplay between Functional-Driven and Density-Driven Errors in DFT Models of Water.
    Palos E; Lambros E; Swee S; Hu J; Dasgupta S; Paesani F
    J Chem Theory Comput; 2022 Jun; 18(6):3410-3426. PubMed ID: 35506889
    [TBL] [Abstract][Full Text] [Related]  

  • 17. He Inclusion in Ice-like and Clathrate-like Frameworks: A Benchmark Quantum Chemistry Study of Guest-Host Interactions.
    Yanes-Rodríguez R; Arismendi-Arrieta DJ; Prosmiti R
    J Chem Inf Model; 2020 Jun; 60(6):3043-3056. PubMed ID: 32469514
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Assessment of the pairwise additive approximation and evaluation of many-body terms for water clusters.
    Dahlke EE; Truhlar DG
    J Phys Chem B; 2006 Jun; 110(22):10595-601. PubMed ID: 16771303
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Water clusters to nanodrops: a tight-binding density functional study.
    Miró P; Cramer CJ
    Phys Chem Chem Phys; 2013 Feb; 15(6):1837-43. PubMed ID: 23247323
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Dispersive interactions in water bilayers at metallic surfaces: a comparison of the PBE and RPBE functional including semiempirical dispersion corrections.
    Tonigold K; Gross A
    J Comput Chem; 2012 Mar; 33(6):695-701. PubMed ID: 22228509
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.