Nuclear Magnetic Resonance (NMR) is a spectroscopic technique widely used by organic chemists. NMR provides details about the location, number and environment of specific types of atoms within a sample. The proper interpretation of this information allows detailed chemical structures to be discerned. The same basic instrumentation used in this week’s experiment is used in physician offices when...

Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...

Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...

A super-resolution parameter estimation scheme for multi-dimensional nuclear magnetic resonance spectroscopy is presented in this paper. Multi-dimensional nuclear magnetic resonance signals can be modeled as the summation of multi-dimensional damped sinusoids. The frequencies and the damping factors of multi-dimensional damped sinusoids play important roles in protein structure determination us...

Professor Jonathan Parr By submitting this essay, I attest that it is my own work, completed in accordance with University regulations.—Andrew Yang An Introduction to Nuclear Magnetic Resonance Spectroscopy by Andrew Yang Nuclear Magnetic Resonance Spectroscopy, or NMR Spectroscopy, is a powerful nondestructive research technique that uses the magnetic properties of nuclei to investigate the co...

As methods for analysis of biomolecular structure and dynamics using nuclear magnetic resonance spectroscopy (NMR) continue to advance, the resulting 3D structures, chemical shifts, and other NMR data are broadly impacting biology, chemistry, and medicine. Structure model assessment is a critical area of NMR methods development, and is an essential component of the process of making these struc...