Theses/Dissertations from 2024
Atomically Precise Metal Nanoclusters: Tailoring Properties through Doping and Ligand Modifications, Rajamanthree Wedage Udumbara Nethmini Ariyarathna
INTEGRATION OF MACHINE LEARNING AND QUANTUM MECHANICAL CALCULATIONS FOR DE NOVO DRUG DESIGN, Ayesh Madushanka Mahamada Kalapuwage
The Chemistry of Heavy Elements: Probing Relativistic Chemical Bonding, Barbara Maria Teixeira Costa Peluzo
Advancing Coupled Cluster Methods: Tensor Factorization And Analytic Gradient Implementation, Tingting Zhao
Theses/Dissertations from 2023
The Investigation of Singlet Fission from the Perspective of Hierarchy of Pure States (HOPS), Tao (James) Chen
The Investigation of Singlet Fission from the Perspective of Hierarchy of Pure States (HOPS), Tao (James) Chen
Microscale Chemical Manipulation and Imaging Using Photoactive Molecules and Light, Uroob Haris
Navigating The Photochemical Regulation of Life: LOV and CRY, Nischal Karki
Clear as Glass: Novel Antibiotic Glasses Vitrified from Solution, Claire Lamberti
Leveraging Non-Covalent Interactions between Small Organic Molecules and Inorganic Scaffolds in the Design of Advanced Materials, Jonathan Lefton
The Decomposition of Normal Vibrational Modes in Different Chemistry Problems, Mateus Macedo Quintano
Protein Dynamics in Allostery and Computer-Aided Drug Design, Mayar Mohamed
New Methods for Core-Hole Spectroscopy Based on Coupled Cluster Theory, Megan Simons
Modeling Excited State Processes in Molecular Aggregates by Constructing an Adaptive Basis For The Hierarchy of Pure States, Leonel Varvelo
Theses/Dissertations from 2022
Advanced Insights Regarding Both Micro- and Macro-Molecules In Various Environments: Showcasing the Local Mode Theory as a Powerful Tool., Alexis A. A. Delgado
The Kinetics and Cellular Imaging of Multi-color Fluorescent and Chemiluminescent Compounds, Bo Li
Benziodazolotetrazoles and Benziodoxolones: Synthesis, Stability, Structural, and Reactivity aspects, Kapil Dev Sayala
Mechanistic Insights into Protein Allostery in LOV Domains and ACE2 PD via Computational Approaches, Francesco Trozzi
Theses/Dissertations from 2021
Synthesis of P-Glycoprotein Inhibitor Compounds, Maha Aljowni
Design, Synthesis, and Evaluation of Carbapenem and Cephalosporin Antibiotics to Counter Resistant 21st Century Pathogens, maha alqurafi
The Role of Hydrogen Bonding and Hydrogen Migration in Different Environments, Nassim Beiranvand
Mechanistic Studies of Catalysis Through Quantum Chemical and Machine Learning Approaches, Malgorzata Makos
From Small Molecules to Infinite Crystals: Probing Noncovalent Interactions through Vibrational Spectroscopy, Sadisha Nanayakkara
Lipoates as Building Blocks of Macromolecules, Mojdeh Raeisi
Structure and Reactivity of The First Row Transition Metals Bearing Redox-Active Ligands and Tunable H-Bonding Interactions, Khashayar Rajabimoghadam
Cu-promoted C-H Bond Hydroxylation Inspired by Cu-dependent Metalloenzymes, Rachel Trammell
Application of Artificial Intelligence and Machine Learning in Chemistry, Niraj Verma
Quantum Chemical Investigation of Novel Noncovalent interactions Utilizing Vibrational Spectroscopy, Seth Francis Yannacone
Theses/Dissertations from 2020
I. Non-Degradable Polysiloxane Networks for Controlled Release Applications, and II. Additive Free, Degradable Silyl-Ether Furyl-Maleimide Networks, Caleb M. Bunton
Hypervalent Iodine Compounds With Halogen-Containing and Phosphinate Ligands, yakun cao
Imaging the Tumor Microenvironment Using 1,2-Dioxetane Chemiluminescence Agents, Lucas Ryan
Theses/Dissertations from 2019
Chemiluminescence imaging probes for quantification of HNO and pH, Weiwei An
Cell-Trappable Chemiluminescent Probes For Monitoring Hydrogen Sulfide in Living Cells, Briley Bezner
Polyarylenes: Synthesis and Characterization Towards Advanced Applications, Stephen Budy
Hypervalent Iodine(III) Compounds With (Pseudo)Halide And Tetrazole Ligands In The Synthesis Of Functional Polymers, Rajesh Kumar
Hypervalent Iodine Compounds with Carboxylate and Tetrazolate Ligands, Avichal Vaish
Bridging Between Protein Dynamics and Evolution Through Simulations and Machine Learning Approaches, Feng Wang
Unravel Allostery Mechanism Through Molecular Dynamic Simulations with Machine Learning Approaches, Hongyu Zhou
Theses/Dissertations from 2018
Design, Synthesis, and Evaluation of C5 Substituted Carbapenem Antibiotics To Counter Resistant Pathogens, Noora Mohammed S.A Al-Kharji
Chemiluminescent Agents for In Vivo Imaging, Jian Cao
Multi-Reference Systems in Chemistry; Unconventional Bonding in Organic Chemistry; Covalent Bonding in Transition Metal Clusters, Alan Wilfred Humason
Photochemical Mechanisms in Brassica Rapa Photoreceptors, Shital Kale
Structural and Functional Characterization of Plant and Fungal LOV Proteins, Jameela Lokhandwala
Advances in Local Vibrational Mode Theory and Unified Reaction Valley Approach (URVA), Yunwen Tao
Theses/Dissertations from 2017
Quantum Chemical Studies of Noncovalent Interactions and Multicenter Bonds Utilizing Local Vibrational Modes, Vytor Oliveira
