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ABSTRACT:
SUBMITTER: Zaharim WN
PROVIDER: S-EPMC8582046 | biostudies-literature | 2021 Nov
REPOSITORIES: biostudies-literature
Zaharim Wan N WN Ahmad Siti N A SNA Sulaiman Shukri S Rozak Harison H Hasan Baseri Dang F DF Mohamad Rosli Nur A NA Mohd-Tajudin Saidah S SS Ang Lee S LS Watanabe Isao I
ACS omega 20211027 44
Density functional theory method at the B3LYP/6-31G level was used to determine the structure of 12mer single-strand guanine oligomers. The length and width of the optimized structure are 38.7 and 18.2 Å, respectively, and the observed high-resolution transmission electron microscopy image of the 12mer single-strand guanine sample shows similar oligomer dimensions with the calculated ones. Both HOMO and LUMO are significantly delocalized, and the calculated HOMO-LUMO gap is 3.31 eV. A total of 9 ...[more]