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 *

229 related articles for article (PubMed ID: 15974683)

  • 41. Optimization of selected molecular orbitals in group basis sets.
    Ferenczy GG; Adams WH
    J Chem Phys; 2009 Apr; 130(13):134108. PubMed ID: 19355718
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Ab initio quantum Monte Carlo study of the positronic hydrogen cyanide molecule.
    Kita Y; Maezono R; Tachikawa M; Towler M; Needs RJ
    J Chem Phys; 2009 Oct; 131(13):134310. PubMed ID: 19814556
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Approaching chemical accuracy with quantum Monte Carlo.
    Petruzielo FR; Toulouse J; Umrigar CJ
    J Chem Phys; 2012 Mar; 136(12):124116. PubMed ID: 22462844
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Weak intermolecular interactions calculated with diffusion Monte Carlo.
    Diedrich C; Lüchow A; Grimme S
    J Chem Phys; 2005 Nov; 123(18):184106. PubMed ID: 16292898
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Performance of quantum Monte Carlo for calculating molecular bond lengths.
    Cleland DM; Per MC
    J Chem Phys; 2016 Mar; 144(12):124108. PubMed ID: 27036428
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Vanadium oxide compounds with quantum Monte Carlo.
    Bande A; Lüchow A
    Phys Chem Chem Phys; 2008 Jun; 10(23):3371-6. PubMed ID: 18535719
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Extrapolating to the one-electron basis-set limit in electronic structure calculations.
    Varandas AJ
    J Chem Phys; 2007 Jun; 126(24):244105. PubMed ID: 17614535
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Maximum probability domains from Quantum Monte Carlo calculations.
    Scemama A; Caffarel M; Savin A
    J Comput Chem; 2007 Jan; 28(1):442-54. PubMed ID: 17143870
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Geminal embedding scheme for optimal atomic basis set construction in correlated calculations.
    Sorella S; Devaux N; Dagrada M; Mazzola G; Casula M
    J Chem Phys; 2015 Dec; 143(24):244112. PubMed ID: 26723656
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Energy-consistent pseudopotentials for quantum Monte Carlo calculations.
    Burkatzki M; Filippi C; Dolg M
    J Chem Phys; 2007 Jun; 126(23):234105. PubMed ID: 17600402
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Efficient and robust quantum Monte Carlo estimate of the total and spin electron densities at nuclei.
    Håkansson P; Mella M
    J Chem Phys; 2008 Sep; 129(12):124101. PubMed ID: 19045000
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Towards the ground state of molecules via diffusion Monte Carlo on neural networks.
    Ren W; Fu W; Wu X; Chen J
    Nat Commun; 2023 Apr; 14(1):1860. PubMed ID: 37012248
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Energy derivatives in quantum Monte Carlo involving the zero-variance property.
    Badinski A; Trail JR; Needs RJ
    J Chem Phys; 2008 Dec; 129(22):224101. PubMed ID: 19071901
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Linear-scaling fixed-node diffusion quantum Monte Carlo: accounting for the nodal information in a density matrix-based scheme.
    Kussmann J; Ochsenfeld C
    J Chem Phys; 2008 Apr; 128(13):134104. PubMed ID: 18397050
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Inhomogeneous backflow transformations in quantum Monte Carlo calculations.
    López Ríos P; Ma A; Drummond ND; Towler MD; Needs RJ
    Phys Rev E Stat Nonlin Soft Matter Phys; 2006 Dec; 74(6 Pt 2):066701. PubMed ID: 17280171
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.
    Wang Y; Braams BJ; Bowman JM; Carter S; Tew DP
    J Chem Phys; 2008 Jun; 128(22):224314. PubMed ID: 18554020
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Reliable radical stabilization energies from diffusion Monte Carlo calculations.
    Per MC; Fletcher EK; Swann ET; Cleland DM
    J Comput Chem; 2020 Oct; 41(27):2378-2382. PubMed ID: 32780429
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set.
    Benali A; Shin H; Heinonen O
    J Chem Phys; 2020 Nov; 153(19):194113. PubMed ID: 33218249
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule.
    Zen A; Luo Y; Sorella S; Guidoni L
    J Chem Theory Comput; 2013 Oct; 9(10):4332-4350. PubMed ID: 24526929
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Correlated Wave Functions for Electron-Positron Interactions in Atoms and Molecules.
    Charry Martinez JA; Barborini M; Tkatchenko A
    J Chem Theory Comput; 2022 Apr; 18(4):2267-2280. PubMed ID: 35333513
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 12.