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 *

145 related articles for article (PubMed ID: 35969856)

  • 1. Integral-Direct Hartree-Fock and Møller-Plesset Perturbation Theory for Periodic Systems with Density Fitting: Application to the Benzene Crystal.
    Bintrim SJ; Berkelbach TC; Ye HZ
    J Chem Theory Comput; 2022 Sep; 18(9):5374-5381. PubMed ID: 35969856
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Second-order Møller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set.
    Marsman M; Grüneis A; Paier J; Kresse G
    J Chem Phys; 2009 May; 130(18):184103. PubMed ID: 19449904
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: an efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory.
    Bozkaya U
    J Chem Phys; 2014 Sep; 141(12):124108. PubMed ID: 25273413
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Incrementally Corrected Periodic Local MP2 Calculations: I. The Cohesive Energy of Molecular Crystals.
    Müller C; Usvyat D
    J Chem Theory Comput; 2013 Dec; 9(12):5590-8. PubMed ID: 26592293
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Can Spin-Component Scaled MP2 Achieve kJ/mol Accuracy for Cohesive Energies of Molecular Crystals?
    Liang YH; Ye HZ; Berkelbach TC
    J Phys Chem Lett; 2023 Nov; 14(46):10435-10441. PubMed ID: 37956873
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Improved Description of Intra- and Intermolecular Interactions through Dispersion-Corrected Second-Order Møller-Plesset Perturbation Theory.
    Beran GJO; Greenwell C; Cook C; Řezáč J
    Acc Chem Res; 2023 Dec; 56(23):3525-3534. PubMed ID: 37963266
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Second-order Møller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix.
    Kobayashi M; Akama T; Nakai H
    J Chem Phys; 2006 Nov; 125(20):204106. PubMed ID: 17144689
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Periodic local Møller-Plesset second order perturbation theory method applied to molecular crystals: study of solid NH3 and CO2 using extended basis sets.
    Maschio L; Usvyat D; Schütz M; Civalleri B
    J Chem Phys; 2010 Apr; 132(13):134706. PubMed ID: 20387953
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Analytic energy gradient in combined second-order Møller-Plesset perturbation theory and polarizable force field calculation.
    Li H
    J Phys Chem A; 2011 Oct; 115(42):11824-31. PubMed ID: 21905697
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Treating dispersion effects in extended systems by hybrid MP2:DFT calculations--protonation of isobutene in zeolite ferrierite.
    Tuma C; Sauer J
    Phys Chem Chem Phys; 2006 Sep; 8(34):3955-65. PubMed ID: 17028686
    [TBL] [Abstract][Full Text] [Related]  

  • 13. CRYSCOR: a program for the post-Hartree-Fock treatment of periodic systems.
    Pisani C; Schütz M; Casassa S; Usvyat D; Maschio L; Lorenz M; Erba A
    Phys Chem Chem Phys; 2012 Jun; 14(21):7615-28. PubMed ID: 22334044
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals.
    Shang H; Yang J
    Front Chem; 2020; 8():589992. PubMed ID: 33240850
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
    Li AH; Chao SD
    J Chem Phys; 2006 Sep; 125(9):094312. PubMed ID: 16965085
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Magnetizability and rotational g tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals.
    Loibl S; Schütz M
    J Chem Phys; 2014 Jul; 141(2):024108. PubMed ID: 25028000
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Benchmark theoretical study of the π-π binding energy in the benzene dimer.
    Miliordos E; Aprà E; Xantheas SS
    J Phys Chem A; 2014 Sep; 118(35):7568-78. PubMed ID: 24761749
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Resolution-of-the-identity second-order Møller-Plesset perturbation theory with complex basis functions: Benchmark calculations and applications to strong-field ionization of polyacenes.
    Hernández Vera M; Jagau TC
    J Chem Phys; 2020 May; 152(17):174103. PubMed ID: 32384845
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Benchmarking Hydrogen and Carbon NMR Chemical Shifts at HF, DFT, and MP2 Levels.
    Flaig D; Maurer M; Hanni M; Braunger K; Kick L; Thubauville M; Ochsenfeld C
    J Chem Theory Comput; 2014 Feb; 10(2):572-8. PubMed ID: 26580033
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.