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 *

144 related articles for article (PubMed ID: 34709812)

  • 1. Self-Consistent Auxiliary Density Perturbation Theory.
    Delesma FA; Delgado-Venegas RI; Salahub DR; Del Campo JM; Pedroza-Montero JN; Calaminici P; Köster AM
    J Chem Theory Comput; 2021 Nov; 17(11):6934-6946. PubMed ID: 34709812
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Comparison of the auxiliary density perturbation theory and the noniterative approximation to the coupled perturbed Kohn-Sham method: case study of the polarizabilities of disubstituted azoarene molecules.
    Shedge SV; Carmona-Espíndola J; Pal S; Köster AM
    J Phys Chem A; 2010 Feb; 114(6):2357-64. PubMed ID: 20088563
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Analytic second derivatives from auxiliary density perturbation theory.
    Delgado-Venegas RI; Mejía-Rodríguez D; Flores-Moreno R; Calaminici P; Köster AM
    J Chem Phys; 2016 Dec; 145(22):224103. PubMed ID: 27984884
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Coupled-perturbed density-matrix functional theory equations. Application to static polarizabilities.
    Pernal K; Baerends EJ
    J Chem Phys; 2006 Jan; 124(1):14102. PubMed ID: 16409019
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Analytic gradients for local density fitting Hartree-Fock and Kohn-Sham methods.
    Csóka J; Kállay M
    J Chem Phys; 2023 Jan; 158(2):024110. PubMed ID: 36641408
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Time-dependent auxiliary density perturbation theory.
    Carmona-Espíndola J; Flores-Moreno R; Köster AM
    J Chem Phys; 2010 Aug; 133(8):084102. PubMed ID: 20815555
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Connection between Hybrid Functionals and Importance of the Local Density Approximation.
    Mosquera MA; Borca CH; Ratner MA; Schatz GC
    J Phys Chem A; 2016 Mar; 120(9):1605-12. PubMed ID: 26901359
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Robust and Efficient Auxiliary Density Perturbation Theory Calculations.
    Mejía-Rodríguez D; Venegas RI; Calaminici P; Köster AM
    J Chem Theory Comput; 2015 Apr; 11(4):1493-500. PubMed ID: 26574360
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Calculations of static and dynamic polarizabilities of excited states by means of density functional theory.
    Jansik B; Jonsson D; Sałek P; Agren H
    J Chem Phys; 2004 Oct; 121(16):7595-600. PubMed ID: 15485219
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory.
    Coriani S; Høst S; Jansík B; Thøgersen L; Olsen J; Jørgensen P; Reine S; Pawłowski F; Helgaker T; Sałek P
    J Chem Phys; 2007 Apr; 126(15):154108. PubMed ID: 17461615
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Auxiliary density perturbation theory.
    Flores-Moreno R; Köster AM
    J Chem Phys; 2008 Apr; 128(13):134105. PubMed ID: 18397051
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Validation of double-hybrid density functionals for electric response properties of transition-metal systems: a new paradigm based on physical considerations.
    Alipour M
    J Phys Chem A; 2013 Apr; 117(13):2884-90. PubMed ID: 23521703
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A hybrid CPU/GPU method for Hartree-Fock self-consistent-field calculation.
    Qi J; Zhang Y; Yang M
    J Chem Phys; 2023 Sep; 159(10):. PubMed ID: 37681693
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Accuracy of auxiliary density functional theory hybrid calculations for activation and reaction enthalpies of pericyclic reactions.
    Gómez-Pérez JR; Delesma FA; Calaminici P; Köster AM
    J Mol Model; 2018 Aug; 24(9):223. PubMed ID: 30078124
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Evaluation of Local Hybrid Functionals for Electric Properties: Dipole Moments and Static and Dynamic Polarizabilities.
    Grotjahn R; Lauter GJ; Haasler M; Kaupp M
    J Phys Chem A; 2020 Oct; 124(40):8346-8358. PubMed ID: 32892622
    [TBL] [Abstract][Full Text] [Related]  

  • 16. How well can parametrized and parameter-free double-hybrid approximations predict response properties of hydrogen-bonded systems? Dipole polarizabilities of water nanoclusters as a working model.
    Alipour M
    J Phys Chem A; 2013 May; 117(21):4506-13. PubMed ID: 23676119
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Robust and efficient variational fitting of Fock exchange.
    Mejía-Rodríguez D; Köster AM
    J Chem Phys; 2014 Sep; 141(12):124114. PubMed ID: 25273419
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Time-Dependent Coupled Perturbed Hartree-Fock and Density-Functional-Theory Approach for Calculating Frequency-Dependent (Hyper)Polarizabilities with Nonorthogonal Localized Molecular Orbitals.
    Peng D; Li S; Peng L; Gu FL; Yang W
    J Chem Theory Comput; 2017 Sep; 13(9):4101-4112. PubMed ID: 28806078
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An Overview of Self-Consistent Field Calculations Within Finite Basis Sets.
    Lehtola S; Blockhuys F; Van Alsenoy C
    Molecules; 2020 Mar; 25(5):. PubMed ID: 32182727
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Exchange-correlation kernel for perturbation dependent auxiliary functions in auxiliary density perturbation theory.
    Hernández-Segura LI; Olvera-Rubalcava FA; Flores-Moreno R; Calaminici P; Köster AM
    J Mol Model; 2024 Aug; 30(9):302. PubMed ID: 39115689
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.