Recent queries:
Lin, Xi, 1973-,
In this thesis, the chemistry of sulfur oxides on transition metals is studied extensively via first-principles density functional theory (DFT) computations, focusing on the chemical reactivity and se...
complete descriptionhttp://hdl.handle.net/1721.1/29642
Yang, Jenny Yue-fon,
Two distinct structural scaffolds elaborated from Schiff-base macrocycles were designed to study the proton-coupled electron transfer chemistry of 0-0 bond forming and activation chemistry. The "Hangm...
complete descriptionhttp://hdl.handle.net/1721.1/40873
Chan, Yinthai,
The incorporation of semiconductor nanocrystals (NCs) into sol-gel derived matrices presents both novel applications as well as a robust platform in which to investigate the nonlinear optical properti...
complete descriptionhttp://hdl.handle.net/1721.1/36253
Chang, Christopher J., 1974-,
Proton-coupled electron transfer (PCET) is the basic mechanism for bioenergetic conversion. Consummate examples include water oxidation in photosynthesis and oxygen reduction in respiration. Despite t...
complete descriptionhttp://hdl.handle.net/1721.1/29928
Jarosz, Mirna, 1981-,
Semiconductor quantum dots (QDs) have tunable opto-electronic properties and can be chemically synthesized and manipulated with ease, making them a promising novel material for many diverse applicatio...
complete descriptionhttp://hdl.handle.net/1721.1/16664
Altunata, Serhan,
The reaction matrix of multichannel quantum defect theory, K, gives a complete picture of the electronic structure and the electron - nuclear dynamics for a molecule. The reaction matrix can be used t...
complete descriptionhttp://dspace.mit.edu/handle/1721.1/36257
Wong, Bryan Matthew, 1979-,
Three special topics in the field of molecular spectroscopy are investigated using a variety of computational techniques. First, large-amplitude vibrational motions on ground-state singlet (S0) potent...
complete descriptionhttp://hdl.handle.net/1721.1/39671
Tonzetich, Zachary John,
CHAPTER 1. Zirconium and hafnium complexes of several new unsymmetric diamide ligands have been prepared and their proficiency in olefin polymerization reactions evaluated. The first set of supporting...
complete descriptionhttp://hdl.handle.net/1721.1/39672
Figueroa, Joshua S,
Chapter 1. Synthesis and Divergent Reactivity of the Niobaziridine-Hydride Functional Group The synthesis, characterization and reactivity of the niobaziridine-hydride complex Nb(H)([eta]²-t- ]Bu(H)C=...
complete descriptionhttp://hdl.handle.net/1721.1/32479
Jennings, Laura Danielle,
Energy-dependent proteases, such as the E. coli protease ClpAP, degrade misfolded and short-lived regulatory proteins inside the cell. In this class of proteins, an ATPase component (e.g., ClpA) binds...
complete descriptionhttp://hdl.handle.net/1721.1/46047
