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 *

199 related articles for article (PubMed ID: 31322769)

  • 41. Analytical evaluation of Fukui functions and real-space linear response function.
    Yang W; Cohen AJ; De Proft F; Geerlings P
    J Chem Phys; 2012 Apr; 136(14):144110. PubMed ID: 22502504
    [TBL] [Abstract][Full Text] [Related]  

  • 42. A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels.
    Kussmann J; Ochsenfeld C
    J Chem Phys; 2007 Nov; 127(20):204103. PubMed ID: 18052415
    [TBL] [Abstract][Full Text] [Related]  

  • 43. TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations.
    Balasubramani SG; Chen GP; Coriani S; Diedenhofen M; Frank MS; Franzke YJ; Furche F; Grotjahn R; Harding ME; Hättig C; Hellweg A; Helmich-Paris B; Holzer C; Huniar U; Kaupp M; Marefat Khah A; Karbalaei Khani S; Müller T; Mack F; Nguyen BD; Parker SM; Perlt E; Rappoport D; Reiter K; Roy S; Rückert M; Schmitz G; Sierka M; Tapavicza E; Tew DP; van Wüllen C; Voora VK; Weigend F; Wodyński A; Yu JM
    J Chem Phys; 2020 May; 152(18):184107. PubMed ID: 32414256
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelization.
    Petrenko T; Kossmann S; Neese F
    J Chem Phys; 2011 Feb; 134(5):054116. PubMed ID: 21303101
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Generalization of the Gaussian electrostatic model: extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods.
    Cisneros GA; Piquemal JP; Darden TA
    J Chem Phys; 2006 Nov; 125(18):184101. PubMed ID: 17115732
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Accelerated long-range corrected exchange functional using a two-gaussian operator combined with one-parameter progressive correlation functional [LC-BOP(2Gau)].
    Song JW; Hirao K
    J Comput Chem; 2019 Jan; 40(1):105-112. PubMed ID: 30451312
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory.
    Maschio L; Kirtman B; Rérat M; Orlando R; Dovesi R
    J Chem Phys; 2013 Oct; 139(16):164101. PubMed ID: 24181998
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Analytical energy gradient for the embedded cluster density approximation.
    Huang C
    J Chem Phys; 2019 Oct; 151(13):134101. PubMed ID: 31594334
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Efficient Hybrid Density Functional Calculations for Large Periodic Systems Using Numerical Atomic Orbitals.
    Lin P; Ren X; He L
    J Chem Theory Comput; 2021 Jan; 17(1):222-239. PubMed ID: 33307678
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Electron density fitting for the Coulomb problem in relativistic density-functional theory.
    Belpassi L; Tarantelli F; Sgamellotti A; Quiney HM
    J Chem Phys; 2006 Mar; 124(12):124104. PubMed ID: 16599659
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Communications: On the relation between the scalar and tensor exchange-correlation kernels of the time-dependent density-functional theory.
    Nazarov VU; Vignale G; Chang YC
    J Chem Phys; 2010 Jul; 133(2):021101. PubMed ID: 20632740
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Parallel implementation of efficient charge-charge interaction evaluation scheme in periodic divide-and-conquer density-functional tight-binding calculations.
    Nishimura Y; Nakai H
    J Comput Chem; 2018 Jan; 39(2):105-116. PubMed ID: 29047123
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based
    Ko HY; Santra B; DiStasio RA
    J Chem Theory Comput; 2021 Dec; 17(12):7789-7813. PubMed ID: 34775753
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Analytical nuclear excited-state gradients for the Tamm-Dancoff approximation using uncoupled frozen-density embedding.
    Heuser J; Höfener S
    J Comput Chem; 2017 Oct; 38(27):2316-2325. PubMed ID: 28766728
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Informatics-Based Energy Fitting Scheme for Correlation Energy at Complete Basis Set Limit.
    Seino J; Nakai H
    J Comput Chem; 2016 Sep; 37(25):2304-15. PubMed ID: 27454327
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Analytical energy gradient evaluation in relativistic and nonrelativistic density functional calculations.
    Wang F; Li L
    J Comput Chem; 2002 Jul; 23(9):920-7. PubMed ID: 11984853
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Piezo-optic tensor of crystals from quantum-mechanical calculations.
    Erba A; Ruggiero MT; Korter TM; Dovesi R
    J Chem Phys; 2015 Oct; 143(14):144504. PubMed ID: 26472386
    [TBL] [Abstract][Full Text] [Related]  

  • 58. A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory.
    Belleflamme F; Hehn AS; Iannuzzi M; Hutter J
    J Chem Phys; 2023 Feb; 158(5):054111. PubMed ID: 36754794
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Implementation of Two-Component Time-Dependent Density Functional Theory in TURBOMOLE.
    Kühn M; Weigend F
    J Chem Theory Comput; 2013 Dec; 9(12):5341-8. PubMed ID: 26592271
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Efficient periodic resolution-of-the-identity Hartree-Fock exchange method with k-point sampling and Gaussian basis sets.
    Bussy A; Hutter J
    J Chem Phys; 2024 Feb; 160(6):. PubMed ID: 38353305
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 10.