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 *

222 related articles for article (PubMed ID: 24929379)

  • 1. Cholesky-decomposed density MP2 with density fitting: accurate MP2 and double-hybrid DFT energies for large systems.
    Maurer SA; Clin L; Ochsenfeld C
    J Chem Phys; 2014 Jun; 140(22):224112. PubMed ID: 24929379
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Efficient Reduced-Scaling Second-Order Møller-Plesset Perturbation Theory with Cholesky-Decomposed Densities and an Attenuated Coulomb Metric.
    Glasbrenner M; Graf D; Ochsenfeld C
    J Chem Theory Comput; 2020 Nov; 16(11):6856-6868. PubMed ID: 33074664
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Efficient distance-including integral screening in linear-scaling Møller-Plesset perturbation theory.
    Maurer SA; Lambrecht DS; Kussmann J; Ochsenfeld C
    J Chem Phys; 2013 Jan; 138(1):014101. PubMed ID: 23298022
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Cholesky-decomposed densities in Laplace-based second-order Møller-Plesset perturbation theory.
    Zienau J; Clin L; Doser B; Ochsenfeld C
    J Chem Phys; 2009 May; 130(20):204112. PubMed ID: 19485442
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria.
    Doser B; Lambrecht DS; Kussmann J; Ochsenfeld C
    J Chem Phys; 2009 Feb; 130(6):064107. PubMed ID: 19222267
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide-expand-consolidate RI-MP2 model.
    Baudin P; Ettenhuber P; Reine S; Kristensen K; Kjærgaard T
    J Chem Phys; 2016 Feb; 144(5):054102. PubMed ID: 26851903
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Linear-scaling symmetry-adapted perturbation theory with scaled dispersion.
    Maurer SA; Beer M; Lambrecht DS; Ochsenfeld C
    J Chem Phys; 2013 Nov; 139(18):184104. PubMed ID: 24320251
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Low-scaling first-order properties within second-order Møller-Plesset perturbation theory using Cholesky decomposed density matrices.
    Vogler S; Ludwig M; Maurer M; Ochsenfeld C
    J Chem Phys; 2017 Jul; 147(2):024101. PubMed ID: 28711065
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies.
    DiStasio RA; Jung Y; Head-Gordon M
    J Chem Theory Comput; 2005 Sep; 1(5):862-76. PubMed ID: 26641903
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions.
    Marchetti O; Werner HJ
    Phys Chem Chem Phys; 2008 Jun; 10(23):3400-9. PubMed ID: 18535723
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.
    Schwabe T; Grimme S
    Acc Chem Res; 2008 Apr; 41(4):569-79. PubMed ID: 18324790
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Low-Scaling Tensor Hypercontraction in the Cholesky Molecular Orbital Basis Applied to Second-Order Møller-Plesset Perturbation Theory.
    Bangerter FH; Glasbrenner M; Ochsenfeld C
    J Chem Theory Comput; 2021 Jan; 17(1):211-221. PubMed ID: 33375790
    [TBL] [Abstract][Full Text] [Related]  

  • 13. An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: application to alanine tetrapeptide conformational analysis.
    Distasio RA; Steele RP; Rhee YM; Shao Y; Head-Gordon M
    J Comput Chem; 2007 Apr; 28(5):839-56. PubMed ID: 17219361
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
    Göltl F; Grüneis A; Bučko T; Hafner J
    J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Density functional theory based study of molecular interactions, recognition, engineering, and quantum transport in π molecular systems.
    Cho Y; Cho WJ; Youn IS; Lee G; Singh NJ; Kim KS
    Acc Chem Res; 2014 Nov; 47(11):3321-30. PubMed ID: 25338296
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory.
    Doser B; Lambrecht DS; Ochsenfeld C
    Phys Chem Chem Phys; 2008 Jun; 10(23):3335-44. PubMed ID: 18535715
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals.
    Pinski P; Riplinger C; Valeev EF; Neese F
    J Chem Phys; 2015 Jul; 143(3):034108. PubMed ID: 26203015
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Electron Correlation in the Condensed Phase from a Resolution of Identity Approach Based on the Gaussian and Plane Waves Scheme.
    Del Ben M; Hutter J; VandeVondele J
    J Chem Theory Comput; 2013 Jun; 9(6):2654-71. PubMed ID: 26583860
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies.
    Hesselmann A; Jansen G; Schütz M
    J Chem Phys; 2005 Jan; 122(1):14103. PubMed ID: 15638638
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An Integral-Direct Linear-Scaling Second-Order Møller-Plesset Approach.
    Nagy PR; Samu G; Kállay M
    J Chem Theory Comput; 2016 Oct; 12(10):4897-4914. PubMed ID: 27618512
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.