ProQuest Subject Index - Physical chemistry at UNIVERSITY OF MINNESOTA

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You are viewing titles for UNIVERSITY OF MINNESOTA in the Physical chemistry available through the UMI Dissertations & Thesis Gradwoorks site

Development and Testing of a Protocol for Computational Prediction of 1H and 13C NMR Chemical Shifts, and, Thermochemistry and Reaction Analysis of Benzyne Formation and Trapping	Quantum mechanical methods for calculating the thermodynamics of molecules with hindered rotations and the rates of chemical reactions

Protein dynamics in enzyme catalysis and ligand binding: A computational study	Improved methods for the modeling of water and ice: I. Development and assessment of density functional methods. II. Development and application of the electrostatically embedded many-body expansion

Theoretical characterization of C-H bond activation in organometallic and biomimetic systems	Structural and dynamic basis of phospholamban and sarcolipin inhibition of Ca2+-ATPase (SERCA) by nuclear magnetic resonance spectroscopy

Vibrationally resolved anion photoelectron spectroscopy of metal clusters	Time-resolved exciton dynamics in conjugated materials for organic photovoltaics

Photoionization of isooctane and n-octane in intense laser fields: The effect of irradiance on ionization rates and electron dynamics	The calculation of bulk solvation phenomena

Simulating biochemical physics with computers: 1. Enzyme catalysis by phosphotriesterase and phosphodiesterase; 2. Integration-free path-integral method for quantum-statistical calculations	Theoretical study of biological phosphoryl transfer reactions

Monte Carlo calculations for organic solids	Molecular mobility in amorphous pharmaceuticals---Implications of heterogeneity

Reactivity of aluminum-doped iron oxide nanoparticles	Computational studies of inorganic compounds and reactions

Aptamer selection using capillary electrophoresis SELEX	Charge transport and contact effects in nanoscopic conjugated molecular junctions characterized by conducting probe atomic force microscopy

Fourier transform microwave spectroscopy of gas phase acids and acid-base complexes	Development of polarizable force fields for proteins

Mechanical properties of soft interfaces	Molecular simulation of earth systems: From the atmosphere to the mantle

An ATR-FTIR study of semiconductor-semiconductor and semiconductor-dielectric interfaces in model organic electronic devices	Computational investigation of nucleic acids

Molecular-level insights into reversed-phase liquid chromatographic systems via Monte Carlo simulation	Surface modification of hydrogen-terminated silicon nanoparticles

Monte Carlo studies for the thermophysical properties and phase equilibria of organic systems	Comprehensive study of the chemical reactions resulting from the decomposition of chloroform in alkaline aqueous solution

In-situ optical spectroscopy of the organic semiconductor/electrolyte dielectric interface	Valence electronic structure of semiconductor quantum dot and wide band gap oxide interfaces by ultraviolet photoelectron spectroscopy

Manipulating colloids and surfactants as co-templates for porous nanostructures and nanocomposites	Solute crystallization in the frozen and freeze-dried systems: Inhibition of crystallization to enhance pharmaceutical stability

Energy and electron transfer in photovoltaic materials	Simulating biochemical physics with computers

Syntheses towards 5-Methylcytosine Analogs & Synthesis and Reactivity of Novel SHEA Acids Utilizing Hydrogen Bonding Networks	Electrical Characterization of Long Conjugated Molecular Wires

Biofuel Combustion: A Single Particle Approach Including New Tandem Measurements	Evaluating the Antimicrobial Mechanism of Neutral Electrochemically Activated Water on Foodborne Pathogens and Their Biofilms

Structure and Dynamics of Block Copolymer Based Soft Materials