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 *

170 related articles for article (PubMed ID: 34188611)

  • 1. The advanced treatment of hydrogen bonding in quantum crystallography.
    Malaspina LA; Genoni A; Jayatilaka D; Turner MJ; Sugimoto K; Nishibori E; Grabowsky S
    J Appl Crystallogr; 2021 Jun; 54(Pt 3):718-729. PubMed ID: 34188611
    [TBL] [Abstract][Full Text] [Related]  

  • 2.
    Malaspina LA; Genoni A; Grabowsky S
    J Appl Crystallogr; 2021 Jun; 54(Pt 3):987-995. PubMed ID: 34188618
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Hirshfeld atom refinement for modelling strong hydrogen bonds.
    Woińska M; Jayatilaka D; Spackman MA; Edwards AJ; Dominiak PM; Woźniak K; Nishibori E; Sugimoto K; Grabowsky S
    Acta Crystallogr A Found Adv; 2014 Sep; 70(Pt 5):483-98. PubMed ID: 25176996
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.
    Malaspina LA; Wieduwilt EK; Bergmann J; Kleemiss F; Meyer B; Ruiz-López MF; Pal R; Hupf E; Beckmann J; Piltz RO; Edwards AJ; Grabowsky S; Genoni A
    J Phys Chem Lett; 2019 Nov; 10(22):6973-6982. PubMed ID: 31633355
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Hirshfeld atom refinement.
    Capelli SC; Bürgi HB; Dittrich B; Grabowsky S; Jayatilaka D
    IUCrJ; 2014 Sep; 1(Pt 5):361-79. PubMed ID: 25295177
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Energetics of interactions in the solid state of 2-hydroxy-8-
    Woinska M; Wanat M; Taciak P; Pawinski T; Minor W; Wozniak K
    IUCrJ; 2019 Sep; 6(Pt 5):868-883. PubMed ID: 31576220
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Modeling electron density distributions from X-ray diffraction to derive optical properties: constrained wavefunction versus multipole refinement.
    Hickstein DD; Cole JM; Turner MJ; Jayatilaka D
    J Chem Phys; 2013 Aug; 139(6):064108. PubMed ID: 23947844
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time-accuracy trade-off.
    Jha KK; Kleemiss F; Chodkiewicz ML; Dominiak PM
    J Appl Crystallogr; 2023 Feb; 56(Pt 1):116-127. PubMed ID: 36777135
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Fragmentation and transferability in Hirshfeld atom refinement.
    Chodkiewicz M; Pawlędzio S; Woińska M; Woźniak K
    IUCrJ; 2022 Mar; 9(Pt 2):298-315. PubMed ID: 35371499
    [TBL] [Abstract][Full Text] [Related]  

  • 10. How do density functionals affect the Hirshfeld atom refinement?
    Landeros-Rivera B; Ramírez-Palma D; Cortés-Guzmán F; Dominiak PM; Contreras-García J
    Phys Chem Chem Phys; 2023 May; 25(18):12702-12711. PubMed ID: 36644944
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Probing the accuracy and precision of Hirshfeld atom refinement with
    Fugel M; Jayatilaka D; Hupf E; Overgaard J; Hathwar VR; Macchi P; Turner MJ; Howard JAK; Dolomanov OV; Puschmann H; Iversen BB; Bürgi HB; Grabowsky S
    IUCrJ; 2018 Jan; 5(Pt 1):32-44. PubMed ID: 29354269
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Transferable Hirshfeld atom model for rapid evaluation of aspherical atomic form factors.
    Chodkiewicz M; Patrikeev L; Pawlędzio S; Woźniak K
    IUCrJ; 2024 Mar; 11(Pt 2):249-259. PubMed ID: 38446457
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Hydrogen atoms can be located accurately and precisely by x-ray crystallography.
    Woińska M; Grabowsky S; Dominiak PM; Woźniak K; Jayatilaka D
    Sci Adv; 2016 May; 2(5):e1600192. PubMed ID: 27386545
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Experimental charge density and topological analysis of tetraaquabis(hydrogenmaleato)nickel(II): a comparison with Hirshfeld atom refinement.
    Pinto CB; Dos Santos LHR; Rodrigues BL
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2023 Aug; 79(Pt 4):281-295. PubMed ID: 37402161
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions.
    Wieduwilt EK; Macetti G; Genoni A
    J Phys Chem Lett; 2021 Jan; 12(1):463-471. PubMed ID: 33369421
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Further Validation of Quantum Crystallography Approaches.
    Wanat M; Malinska M; Hoser AA; Woźniak K
    Molecules; 2021 Jun; 26(12):. PubMed ID: 34207308
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement.
    Bučinský L; Jayatilaka D; Grabowsky S
    Acta Crystallogr A Found Adv; 2019 Sep; 75(Pt 5):705-717. PubMed ID: 31475915
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Hirshfeld atom like refinement with alternative electron density partitions.
    Chodkiewicz ML; Woińska M; Woźniak K
    IUCrJ; 2020 Nov; 7(Pt 6):1199-1215. PubMed ID: 33209330
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement.
    Chodkiewicz ML; Gajda R; Lavina B; Tkachev S; Prakapenka VB; Dera P; Wozniak K
    IUCrJ; 2022 Sep; 9(Pt 5):573-579. PubMed ID: 36071798
    [TBL] [Abstract][Full Text] [Related]  

  • 20. TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data.
    Jha KK; Gruza B; Kumar P; Chodkiewicz ML; Dominiak PM
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2020 Jun; 76(Pt 3):296-306. PubMed ID: 32831250
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.