Development and applications of a chemical bond theory: crystallography, mass spectra, and nanomaterials-based clean energy storage

Khidhir Alhameedi

doi:10.26182/hj5p-0559

Development and applications of a chemical bond theory: crystallography, mass spectra, and nanomaterials-based clean energy storage

Khidhir Alhameedi

School of Molecular Sciences

Research output: Thesis › Doctoral Thesis

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Abstract

This thesis comprises a body of work that investigates the development, evaluation and application of a chemical bond theory, namely Roby-Gould theory and its bond indices for a wide range of organic and inorganic compounds. The work can be broadly divided into twofold: (i) developing and statistically exploring the Roby-Gould bond indices for intramolecular and intermolecular interactions for comprehensive data sets; and (ii) practical application of Roby-Gould bond indices for (a) predicting the base peak of mass spectrometry, and (b) investigating two-dimensional nanomaterials for clean energy storage.

Original language	English
Qualification	Doctor of Philosophy
Awarding Institution	The University of Western Australia
Supervisors/Advisors	Jayatilaka, Dylan, Supervisor Karton, Amir, Supervisor Hussain, Tanveer, Supervisor
Award date	4 Mar 2022
DOIs	https://doi.org/10.26182/hj5p-0559
Publication status	Unpublished - 2022

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

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10.26182/hj5p-0559

THESIS - DOCTOR OF PHILOSOPHY - ALHAMEEDI, Khidhir Abdalhussein Khidhir - 2022 - Part 1
THESIS - DOCTOR OF PHILOSOPHY - ALHAMEEDI, Khidhir Abdalhussein Khidhir - 2022 - Part 2
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Cite this

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AB - This thesis comprises a body of work that investigates the development, evaluation and application of a chemical bond theory, namely Roby-Gould theory and its bond indices for a wide range of organic and inorganic compounds. The work can be broadly divided into twofold: (i) developing and statistically exploring the Roby-Gould bond indices for intramolecular and intermolecular interactions for comprehensive data sets; and (ii) practical application of Roby-Gould bond indices for (a) predicting the base peak of mass spectrometry, and (b) investigating two-dimensional nanomaterials for clean energy storage.

KW - Roby-Gould theory, Chemical bond

KW - Covalent bond, Ionic bond

KW - Bond order, Bond index

KW - Weak intermolecular interactions

KW - Crystals, Solid states

KW - Two-dimensional nanomaterials

KW - Hydrogen clean energy storage

KW - Predicting mass spectrometry

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DO - 10.26182/hj5p-0559

M3 - Doctoral Thesis

ER -

Development and applications of a chemical bond theory: crystallography, mass spectra, and nanomaterials-based clean energy storage

Abstract

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