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 *

139 related articles for article (PubMed ID: 37661914)

  • 1. Automatic Generation of Accurate and Cost-Efficient Auxiliary Basis Sets.
    Lehtola S
    J Chem Theory Comput; 2023 Sep; 19(18):6242-6254. PubMed ID: 37661914
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Straightforward and Accurate Automatic Auxiliary Basis Set Generation for Molecular Calculations with Atomic Orbital Basis Sets.
    Lehtola S
    J Chem Theory Comput; 2021 Nov; 17(11):6886-6900. PubMed ID: 34614349
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Automatically generated Coulomb fitting basis sets: design and accuracy for systems containing H to Kr.
    Yang R; Rendell AP; Frisch MJ
    J Chem Phys; 2007 Aug; 127(7):074102. PubMed ID: 17718601
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Automatic Generation of Auxiliary Basis Sets.
    Stoychev GL; Auer AA; Neese F
    J Chem Theory Comput; 2017 Feb; 13(2):554-562. PubMed ID: 28005364
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework.
    Delesma FA; Leucke M; Golze D; Rinke P
    J Chem Phys; 2024 Jan; 160(2):. PubMed ID: 38205851
    [TBL] [Abstract][Full Text] [Related]  

  • 6. General orbital invariant MP2-F12 theory.
    Werner HJ; Adler TB; Manby FR
    J Chem Phys; 2007 Apr; 126(16):164102. PubMed ID: 17477584
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: weighted core-valence correlation consistent basis sets for the 4d elements Y-Pd.
    Hill JG
    J Comput Chem; 2013 Sep; 34(25):2168-77. PubMed ID: 23828233
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Coupled Cluster and Møller-Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions.
    Boström J; Pitoňák M; Aquilante F; Neogrády P; Pedersen TB; Lindh R
    J Chem Theory Comput; 2012 Jun; 8(6):1921-8. PubMed ID: 26593826
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Optimization of RI-MP2 auxiliary basis functions for 6-31G** and 6-311G** basis sets for first-, second-, and third-row elements.
    Tanaka M; Katouda M; Nagase S
    J Comput Chem; 2013 Nov; 34(29):2568-75. PubMed ID: 24078462
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. A Quadratic Pair Atomic Resolution of the Identity Based SOS-AO-MP2 Algorithm Using Slater Type Orbitals.
    Förster A; Franchini M; van Lenthe E; Visscher L
    J Chem Theory Comput; 2020 Feb; 16(2):875-891. PubMed ID: 31930915
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions.
    Mester D; Nagy PR; Kállay M
    J Chem Phys; 2017 May; 146(19):194102. PubMed ID: 28527453
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. 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]  

  • 17. Toward Pair Atomic Density Fitting for Correlation Energies with Benchmark Accuracy.
    Spadetto E; Philipsen PHT; Förster A; Visscher L
    J Chem Theory Comput; 2023 Mar; 19(5):1499-1516. PubMed ID: 36787494
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The limitations of Slater's element-dependent exchange functional from analytic density-functional theory.
    Zope RR; Dunlap BI
    J Chem Phys; 2006 Jan; 124(4):044107. PubMed ID: 16460149
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Second-order Møller-Plesset theory with linear R12 terms (MP2-R12) revisited: auxiliary basis set method and massively parallel implementation.
    Valeev EF; Janssen CL
    J Chem Phys; 2004 Jul; 121(3):1214-27. PubMed ID: 15260663
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Third-Order Møller-Plesset Theory Made More Useful? The Role of Density Functional Theory Orbitals.
    Rettig A; Hait D; Bertels LW; Head-Gordon M
    J Chem Theory Comput; 2020 Dec; 16(12):7473-7489. PubMed ID: 33161713
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.