Showing 1,901 - 1,920 results of 15,016 for search '(( significant ((step decrease) OR (we decrease)) ) OR ( significantly increased decrease ))', query time: 0.46s Refine Results
  1. 1901

    Effect of Molecular Structure on the B3LYP-Computed HOMO–LUMO Gap: A Structure −Property Relationship Using Atomic Signatures by Ahmed Mohamed (628889)

    Published 2025
    “…The atomic fragments containing π-bonds in various aromatic compounds were found to be the most significant atomic Signatures, explaining nearly 50% of the variance in the data, with regression coefficients that decreased <i>E</i><sub>gap</sub>. …”
  2. 1902
  3. 1903
  4. 1904
  5. 1905
  6. 1906
  7. 1907
  8. 1908
  9. 1909
  10. 1910
  11. 1911
  12. 1912
  13. 1913
  14. 1914
  15. 1915
  16. 1916
  17. 1917
  18. 1918
  19. 1919
  20. 1920