Density Functional Theory Investigation Of Electronic Structure And Muonium Hyperfine Interaction Of 12mer Single Strand Guanine Oligomer

The aims of this study are to determine the stable muon sites in 12mer single strand guanine (12mer ssG) oligomer, and to determine the associated muonium (Mu) hyperfine coupling constants. The Density Functional Theory (DFT) quantum mechanical method was employed to achived the goals of the stud...

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Main Author: Zaharim, Wan Nurfadhilah
Format: Thesis
Language:English
Published: 2019
Subjects:
LC5800-5808 Distance education.
Online Access:http://eprints.usm.my/62290/
Abstract Abstract here
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author Zaharim, Wan Nurfadhilah
author_facet Zaharim, Wan Nurfadhilah
author_sort Zaharim, Wan Nurfadhilah
description The aims of this study are to determine the stable muon sites in 12mer single strand guanine (12mer ssG) oligomer, and to determine the associated muonium (Mu) hyperfine coupling constants. The Density Functional Theory (DFT) quantum mechanical method was employed to achived the goals of the study. High-resolution transmission electron microscopy (HRTEM) and UV-visible (UV-Vis) measurements were made to examine the physical structure and the HOMO-LUMO gap of the studied system. Computational investigation was first performed on isolated guanine (isolated G), guanine nucleobase (G nucleobase), and guanine nucleotide (G nucleotide). The C8 Mu trapping site was found to be the most energetically stable in all three molecules. The calculated Fermi contact coupling constants (FCCC) are 337.4 MHz, 334.3 MHz, and 310.6 MHz.
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language English
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spelling usm-622902025-05-23T03:38:23Z http://eprints.usm.my/62290/ Density Functional Theory Investigation Of Electronic Structure And Muonium Hyperfine Interaction Of 12mer Single Strand Guanine Oligomer Zaharim, Wan Nurfadhilah LC5800-5808 Distance education. The aims of this study are to determine the stable muon sites in 12mer single strand guanine (12mer ssG) oligomer, and to determine the associated muonium (Mu) hyperfine coupling constants. The Density Functional Theory (DFT) quantum mechanical method was employed to achived the goals of the study. High-resolution transmission electron microscopy (HRTEM) and UV-visible (UV-Vis) measurements were made to examine the physical structure and the HOMO-LUMO gap of the studied system. Computational investigation was first performed on isolated guanine (isolated G), guanine nucleobase (G nucleobase), and guanine nucleotide (G nucleotide). The C8 Mu trapping site was found to be the most energetically stable in all three molecules. The calculated Fermi contact coupling constants (FCCC) are 337.4 MHz, 334.3 MHz, and 310.6 MHz. 2019-07 Thesis NonPeerReviewed application/pdf en http://eprints.usm.my/62290/1/Density%20Functional%20Theory%20cut.pdf Zaharim, Wan Nurfadhilah (2019) Density Functional Theory Investigation Of Electronic Structure And Muonium Hyperfine Interaction Of 12mer Single Strand Guanine Oligomer. PhD thesis, Universiti Sains Malaysia.
spellingShingle LC5800-5808 Distance education.
Zaharim, Wan Nurfadhilah
Density Functional Theory Investigation Of Electronic Structure And Muonium Hyperfine Interaction Of 12mer Single Strand Guanine Oligomer
thesis_level PhD
title Density Functional Theory Investigation Of Electronic Structure And Muonium Hyperfine Interaction Of 12mer Single Strand Guanine Oligomer
title_full Density Functional Theory Investigation Of Electronic Structure And Muonium Hyperfine Interaction Of 12mer Single Strand Guanine Oligomer
title_fullStr Density Functional Theory Investigation Of Electronic Structure And Muonium Hyperfine Interaction Of 12mer Single Strand Guanine Oligomer
title_full_unstemmed Density Functional Theory Investigation Of Electronic Structure And Muonium Hyperfine Interaction Of 12mer Single Strand Guanine Oligomer
title_short Density Functional Theory Investigation Of Electronic Structure And Muonium Hyperfine Interaction Of 12mer Single Strand Guanine Oligomer
title_sort density functional theory investigation of electronic structure and muonium hyperfine interaction of 12mer single strand guanine oligomer
topic LC5800-5808 Distance education.
url http://eprints.usm.my/62290/
work_keys_str_mv AT zaharimwannurfadhilah densityfunctionaltheoryinvestigationofelectronicstructureandmuoniumhyperfineinteractionof12mersinglestrandguanineoligomer

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