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Now showing items 31-36 of 36
Studies of molecular architecture within solid polymer electrolytes and teichoic acid biopolymers from solid-state nuclear magnetic resonance spectroscopy.
(2007)
The unsuccessful collection of a 31P CP-MAS spectrum in frozen D2O suggests the presence of liquid water around LTA. 2H SSNMR were used to study the phase of the water environments for LTA dissolved in D2O at -25 and ...
A computational study of the structural, spectroscopic, thermochemical and binding properties of quinones involved in photosynthesis.
(1998)
The functions of the quinones present in both plant and bacterial photosynthetic reaction centers is still not completely understood. Presented here is a detailed computational study of a variety of properties of various ...
Osmometry studies of surfactant aggregation and solubilization by micellar systems /
(1985)
Data from vapor pressure osmometry, chloride ion-, and hydrogen ion-selective electrode measurements are reported for 2-phenylacetic acid in aqueous cetylpyridinium chloride. Results have been modelled using a mass-action ...
KINETIC DOPING OF SILICA SOL-GEL THIN FILMS AND APPLICATION AS BIOSENSORS
(2019-05-10)
Easy to use and easy to produce biosensors would have a huge range of applications. To reach this goal many see the incorporation of a protein into a sol-gel network as one of the most viable options. The current most ...
Understanding and design of molecular dynamics based simulation methods.
(2006)
Several new strategies for employing modified molecular dynamics (MD) protocols for finding energy minima were developed developed. First, we derived a new method of searching for the lowest energy conformation by employ ...
Computational studies of polymer electrolyte complexes by molecular dynamics and molecular vibrations by principal component analysis.
(2003)
The second part (Chapter 4 and 5) focuses on computing vibrational frequencies and modes by using a new technique, principal component analysis (PCA) which is broadly used in signal processing, pattern recognition, and ...